methyl (3E)-3-[4-[2-[2-[2-[[(2E)-2-(3-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazol-4-yl]carbothioylamino]ethoxy]ethoxy]ethylcarbamothioyl]-3H-1,3-thiazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl (3E)-3-[4-[2-[2-[2-[[(2E)-2-(3-methoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazol-4-yl]carbothioylamino]ethoxy]ethoxy]ethylcarbamothioyl]-3H-1,3-thiazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl (3E)-3-[4-[2-[2-[2-[[(2E)-2-(3-methoxycarbonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethylcarbamothioyl]-3H-thiazol-2-ylidene]-4-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: (3E)-3-[4-[[2-[2-[2-[[[(2E)-2-(3-methoxycarbonyl-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-thiazol-4-yl]-sulfanylidenemethyl]amino]ethoxy]ethoxy]ethylamino]-sulfanylidenemethyl]-3H-thiazol-2-ylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E)-3-[4-[2-[2-[2-[[(2E)-2-(3-methoxycarbonyl-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethylcarbamothioyl]-3H-1,3-thiazol-2-ylidene]-4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: (3E)-3-[4-[2-[2-[2-[[(2E)-2-(3-carbomethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-thiazoline-4-carbothioyl]amino]ethoxy]ethoxy]ethylthiocarbamoyl]-4-thiazolin-2-ylidene]-4-keto-cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C30H30N4O8S4 MolecularWeight: 702.8412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2NC(=CS2)C(=S)NCCOCCOCCNC(=S)C3=CSC(=C4C=C(C=CC4=O)C(=O)OC)N3)C(=O)C=C1

Isomeric SMILES

COC(=O)C1=C/C(=C/2\SC=C(N2)C(=S)NCCOCCOCCNC(=S)C3=CS/C(=C\4/C(=O)C=CC(=C4)C(=O)OC)/N3)/C(=O)C=C1

InChI

InChI=1S/C30H30N4O8S4/c1-39-29(37)17-3-5-23(35)19(13-17)27-33-21(15-45-27)25(43)31-7-9-41-11-12-42-10-8-32-26(44)22-16-46-28(34-22)20-14-18(30(38)40-2)4-6-24(20)36/h3-6,13-16,33-34H,7-12H2,1-2H3,(H,31,43)(H,32,44)/b27-19+,28-20+