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

Systemtic Name: ethyl 2-[(4-methoxy-3-nitro-phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-methoxy-3-nitro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(4-methoxy-3-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxy-3-nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-methoxy-3-nitro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-3-25-18(21)16-12-6-4-5-7-15(12)26-17(16)19-11-8-9-14(24-2)13(10-11)20(22)23/h8-10,19H,3-7H2,1-2H3