methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C18H15N3O3S2/c1-24-17(23)11-7-5-10(6-8-11)15(22)20-18(25)21-16-13(9-19)12-3-2-4-14(12)26-16/h5-8H,2-4H2,1H3,(H2,20,21,22,25)