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

Systemtic Name: ethyl (6R)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C19H20BrNO3S/c1-3-24-19(23)17-14-6-4-11(2)8-16(14)25-18(17)21-10-12-9-13(20)5-7-15(12)22/h5,7,9-11,21H,3-4,6,8H2,1-2H3/t11-/m1/s1