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

Systemtic Name: ethyl 2-[(3-bromanyl-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-bromo-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromo-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5S/c1-2-26-18(23)15-11-5-3-4-6-14(11)27-17(15)20-9-10-7-12(19)16(22)13(8-10)21(24)25/h7-9,20H,2-6H2,1H3