(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)N=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)N=CS4)C(C)C

InChI

InChI=1S/C22H19NO4S/c1-12(2)16-9-17-15(8-21(24)27-19(17)6-13(16)3)10-26-22(25)14-4-5-18-20(7-14)28-11-23-18/h4-9,11-12H,10H2,1-3H3