(3S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[5-(4-bromobenzyl)thiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-21(11-14-4-2-3-5-17(14)18(25)27-21)19(26)24-20-23-12-16(28-20)10-13-6-8-15(22)9-7-13/h2-9,12H,10-11H2,1H3,(H,23,24,26)/t21-/m0/s1