ethyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(indoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O2S2/c1-3-27-22(26)20-19(17-10-5-4-6-11-17)15(2)29-21(20)24-23(28)25-14-13-16-9-7-8-12-18(16)25/h4-12H,3,13-14H2,1-2H3,(H,24,28)