ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenylacetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-aminophenyl)thio]-2-phenyl-acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O3S2 MolecularWeight: 522.72186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C29H34N2O3S2/c1-5-34-28(33)24-22-16-11-19(29(2,3)4)17-23(22)36-27(24)31-26(32)25(18-9-7-6-8-10-18)35-21-14-12-20(30)13-15-21/h6-10,12-15,19,25H,5,11,16-17,30H2,1-4H3,(H,31,32)