ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(1H-indol-3-ylthio)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(1H-indol-3-ylthio)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-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=C1CCC2)NC(=O)C(C)SC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-21(25)18-14-8-6-10-16(14)28-20(18)23-19(24)12(2)27-17-11-22-15-9-5-4-7-13(15)17/h4-5,7,9,11-12,22H,3,6,8,10H2,1-2H3,(H,23,24)