ethyl 2-[(6-nitro-2-oxidanylidene-naphthalen-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-nitro-2-oxidanylidene-naphthalen-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-nitro-2-oxo-1-naphthylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-nitro-2-oxo-1-naphthalenylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-nitro-2-oxonaphthalen-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-keto-6-nitro-1-naphthylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C4=C(C=CC3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C4=C(C=CC3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5S/c1-2-29-22(26)20-16-5-3-4-6-19(16)30-21(20)23-12-17-15-9-8-14(24(27)28)11-13(15)7-10-18(17)25/h7-12,23H,2-6H2,1H3