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

Systemtic Name: 6-bromanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[5-[(4-methoxyphenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-1-keto-N-(5-p-anisylthiazol-2-yl)isochroman-3-carboxamide Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CC4=C(C=CC(=C4)Br)C(=O)O3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CC4=C(C=CC(=C4)Br)C(=O)O3

InChI

InChI=1S/C21H17BrN2O4S/c1-27-15-5-2-12(3-6-15)8-16-11-23-21(29-16)24-19(25)18-10-13-9-14(22)4-7-17(13)20(26)28-18/h2-7,9,11,18H,8,10H2,1H3,(H,23,24,25)