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

Systemtic Name: ethyl 2-[(5-bromanyl-3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-bromo-3-methoxy-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-bromo-3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C=C(C=C(C3=O)Br)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C=C(C=C(C3=O)Br)OC

InChI

InChI=1S/C19H20BrNO4S/c1-3-25-19(23)16-13-6-4-5-7-15(13)26-18(16)21-10-11-8-12(24-2)9-14(20)17(11)22/h8-10,21H,3-7H2,1-2H3