1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H17NO4S/c1-15-22(27)17-10-7-11-18(24(17)30-23(15)16-8-3-2-4-9-16)25(28)29-14-21-26-19-12-5-6-13-20(19)31-21/h2-13H,14H2,1H3