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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-(4-methyl-5-p-anisyl-thiazol-2-yl)isochroman-3-carboxamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-13-19(11-14-7-9-16(27-2)10-8-14)29-22(23-13)24-20(25)18-12-15-5-3-4-6-17(15)21(26)28-18/h3-10,18H,11-12H2,1-2H3,(H,23,24,25)