ethyl 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-(4-nitrophenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(E)-(4-nitrobenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-2-24-18(21)16-14-5-3-4-6-15(14)25-17(16)19-11-12-7-9-13(10-8-12)20(22)23/h7-11H,2-6H2,1H3/b19-11+