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

Systemtic Name: methyl 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-23-17(20)15-13-4-2-3-5-14(13)24-16(15)18-10-11-6-8-12(9-7-11)19(21)22/h6-10H,2-5H2,1H3/b18-10+