methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(indoline-1-carbothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O2S2/c1-25-20(24)16-13-18(15-8-3-2-4-9-15)27-19(16)22-21(26)23-12-11-14-7-5-6-10-17(14)23/h2-10,13H,11-12H2,1H3,(H,22,26)