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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O2S2/c1-2-27-22(26)19-15-18(14-16-8-4-3-5-9-16)29-21(19)24-23(28)25-13-12-17-10-6-7-11-20(17)25/h3-11,15H,2,12-14H2,1H3,(H,24,28)