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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S2/c1-24-17(23)11-5-2-4-10(8-11)15(22)20-18(25)21-16-13(9-19)12-6-3-7-14(12)26-16/h2,4-5,8H,3,6-7H2,1H3,(H2,20,21,22,25)