ethyl 2-[2-(1H-indol-3-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1H-indol-3-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1H-indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1H-indol-3-ylthio)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1H-indol-3-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O3S2/c1-2-26-21(25)19-14-8-4-6-10-16(14)28-20(19)23-18(24)12-27-17-11-22-15-9-5-3-7-13(15)17/h3,5,7,9,11,22H,2,4,6,8,10,12H2,1H3,(H,23,24)