(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H16ClNO5S MolecularWeight: 441.88414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)OCC4=CSC=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)OCC4=CSC=N4)Cl

InChI

InChI=1S/C22H16ClNO5S/c1-13-5-20-18(8-19(13)23)15(7-21(25)29-20)9-28-22(26)14-3-2-4-17(6-14)27-10-16-11-30-12-24-16/h2-8,11-12H,9-10H2,1H3