ethyl 2-[[5-nitro-2-(3-phenylpropylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-nitro-2-(3-phenylpropylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-nitro-2-(3-phenylpropylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-nitro-2-(3-phenylpropylamino)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-nitro-2-(3-phenylpropylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-nitro-2-(3-phenylpropylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5S/c1-2-35-27(32)24-20-12-6-7-13-23(20)36-26(24)29-25(31)21-17-19(30(33)34)14-15-22(21)28-16-8-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,17,28H,2,6-8,11-13,16H2,1H3,(H,29,31)