methyl 2-(thiophen-2-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(thiophen-2-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(thiophene-2-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(thiophene-2-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-thenoylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O3S3/c1-22-16(21)13-10-6-3-2-4-7-11(10)25-15(13)19-17(23)18-14(20)12-8-5-9-24-12/h5,8-9H,2-4,6-7H2,1H3,(H2,18,19,20,23)