methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(indoline-1-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-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=C1CCCC2)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCC4=CC=CC=C43

InChI

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