ethyl 2-[2-[1-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[1-[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]ethyl]-3-indolyl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C31H33N3O4S2 MolecularWeight: 575.74142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC(=CC(=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C31H33N3O4S2/c1-4-38-31(37)28-23-9-7-11-25(23)40-30(28)33-27(35)18-39-26-17-34(24-10-6-5-8-22(24)26)13-12-32-29(36)21-15-19(2)14-20(3)16-21/h5-6,8,10,14-17H,4,7,9,11-13,18H2,1-3H3,(H,32,36)(H,33,35)