ethyl 2-[2-[1-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-[2-[(3,5-dimethylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[1-[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]ethyl]-3-indolyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[1-[2-[(3,5-dimethylbenzoyl)amino]ethyl]indol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H35N3O4S2 MolecularWeight: 589.768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC(=CC(=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C32H35N3O4S2/c1-4-39-32(38)29-24-10-6-8-12-26(24)41-31(29)34-28(36)19-40-27-18-35(25-11-7-5-9-23(25)27)14-13-33-30(37)22-16-20(2)15-21(3)17-22/h5,7,9,11,15-18H,4,6,8,10,12-14,19H2,1-3H3,(H,33,37)(H,34,36)