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

Systemtic Name: ethyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S2/c1-2-26-21(25)17-14-19(16-9-4-3-5-10-16)28-20(17)23-22(27)24-13-12-15-8-6-7-11-18(15)24/h3-11,14H,2,12-13H2,1H3,(H,23,27)