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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC=C(C=C4)Br

InChI

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