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

Systemtic Name: (3S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]isochroman-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N2O4S/c1-12-18(13-7-9-15(26-2)10-8-13)22-21(28-12)23-19(24)17-11-14-5-3-4-6-16(14)20(25)27-17/h3-10,17H,11H2,1-2H3,(H,22,23,24)/t17-/m0/s1