(3S)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-1-oxo-3-phenyl-N-[5-(p-tolylmethyl)thiazol-2-yl]isochromane-6-carboxamide CAS Name: (3S)-N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-[5-(4-methylbenzyl)thiazol-2-yl]-3-phenyl-isochroman-6-carboxamide Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3S/c1-17-7-9-18(10-8-17)13-22-16-28-27(33-22)29-25(30)20-11-12-23-21(14-20)15-24(32-26(23)31)19-5-3-2-4-6-19/h2-12,14,16,24H,13,15H2,1H3,(H,28,29,30)/t24-/m0/s1