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

Systemtic Name: ethyl 2-[(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-bromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=C(C3=C(S2)CCCC3)C(=O)OCC)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=C(C3=C(S2)CCCC3)C(=O)OCC)C1=O)Br

InChI

InChI=1S/C20H22BrNO4S/c1-3-25-15-10-13(21)9-12(18(15)23)11-22-19-17(20(24)26-4-2)14-7-5-6-8-16(14)27-19/h9-11,22H,3-8H2,1-2H3