methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(indoline-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC4=CC=CC=C43

InChI

InChI=1S/C20H22N2O2S2/c1-24-19(23)17-14-8-3-2-4-10-16(14)26-18(17)21-20(25)22-12-11-13-7-5-6-9-15(13)22/h5-7,9H,2-4,8,10-12H2,1H3,(H,21,25)