(3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N,3-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N,3-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N,3-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-keto-N,3-dimethyl-isochroman-3-carboxamide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C21H21BrN2O4/c1-13-10-15(22)8-9-17(13)23-18(25)12-24(3)20(27)21(2)11-14-6-4-5-7-16(14)19(26)28-21/h4-10H,11-12H2,1-3H3,(H,23,25)/t21-/m0/s1