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

Systemtic Name: ethyl 2-[(4-nitro-3-oxidanyl-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-hydroxy-4-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-hydroxy-4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-hydroxy-4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-hydroxy-4-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)16-12-5-3-4-6-15(12)26-17(16)19-10-11-7-8-13(20(23)24)14(21)9-11/h7-10,21H,2-6H2,1H3