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

Systemtic Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-aminophenyl)thio]-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S2/c1-3-31-26(30)22-20-14-9-16(2)15-21(20)33-25(22)28-24(29)23(17-7-5-4-6-8-17)32-19-12-10-18(27)11-13-19/h4-8,10-13,16,23H,3,9,14-15,27H2,1-2H3,(H,28,29)