(2-phenyl-1,3-thiazol-5-yl)methyl 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-5-yl)methyl 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (2-phenylthiazol-5-yl)methyl 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (2-phenyl-5-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-5-yl)methyl 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid (2-phenylthiazol-5-yl)methyl ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OCC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)OCC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H15NO4S/c22-19-16-9-5-4-8-14(16)10-17(25-19)20(23)24-12-15-11-21-18(26-15)13-6-2-1-3-7-13/h1-9,11,17H,10,12H2