ethyl 2-(2-phenylsulfanylethanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-phenylsulfanylethanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-phenylsulfanylacetyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-oxo-2-(phenylthio)ethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-phenylsulfanylacetyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(phenylthio)acetyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S3/c1-2-24-18(23)16-13-9-6-10-14(13)27-17(16)21-19(25)20-15(22)11-26-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,20,21,22,25)