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

Systemtic Name: ethyl 2-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-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)NC=C3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)15-12-7-3-4-9-14(12)26-17(15)19-10-11-6-5-8-13(16(11)21)20(23)24/h5-6,8,10,19H,2-4,7,9H2,1H3