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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-1-oxo-isochromene-3-carboxamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-2-thiazolyl]-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide Traditional Name: 1-keto-N-(5-p-anisylthiazol-2-yl)isochromene-3-carboxamide Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H16N2O4S/c1-26-15-8-6-13(7-9-15)10-16-12-22-21(28-16)23-19(24)18-11-14-4-2-3-5-17(14)20(25)27-18/h2-9,11-12H,10H2,1H3,(H,22,23,24)