methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H20N2O2S2/c1-23-18(22)16-14-7-4-8-15(14)25-17(16)20-19(24)21-10-9-12-5-2-3-6-13(12)11-21/h2-3,5-6H,4,7-11H2,1H3,(H,20,24)