[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)Br)C=C1

InChI

InChI=1S/C19H18BrNO3S/c1-11-4-6-15(14(20)7-11)21-18(22)10-24-19(23)17-9-13-5-3-12(2)8-16(13)25-17/h3-8,17H,9-10H2,1-2H3,(H,21,22)