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

Systemtic Name: ethyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-2-25-20(24)18-15-9-4-3-5-11-17(15)27-19(18)22-21(26)23-13-12-14-8-6-7-10-16(14)23/h6-8,10H,2-5,9,11-13H2,1H3,(H,22,26)