methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O6S/c1-11-3-5-14-13(7-11)19(25)18(21(26)27-2)20(23-14)30-9-17(24)22-12-4-6-15-16(8-12)29-10-28-15/h3-8H,9-10H2,1-2H3,(H,22,24)(H,23,25)