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

Systemtic Name: ethyl 6-methyl-2-[[2-(2-nitropyridin-3-yl)oxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(2-nitropyridin-3-yl)oxy-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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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)OC4=C(N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC4=C(N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6S/c1-3-33-25(30)20-17-12-11-15(2)14-19(17)35-24(20)27-23(29)21(16-8-5-4-6-9-16)34-18-10-7-13-26-22(18)28(31)32/h4-10,13,15,21H,3,11-12,14H2,1-2H3,(H,27,29)