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

Systemtic Name: ethyl 2-[[2-(4-methoxy-3-nitro-phenyl)carbonyloxy-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methoxy-3-nitro-benzoyl)oxy-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-methoxy-3-nitrophenyl)-oxomethoxy]-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-methoxy-3-nitrobenzoyl)oxy-2-phenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methoxy-3-nitro-benzoyl)oxy-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O8S MolecularWeight: 552.59552

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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)OC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H28N2O8S/c1-4-37-28(33)23-19-12-10-16(2)14-22(19)39-26(23)29-25(31)24(17-8-6-5-7-9-17)38-27(32)18-11-13-21(36-3)20(15-18)30(34)35/h5-9,11,13,15-16,24H,4,10,12,14H2,1-3H3,(H,29,31)