[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H14ClNO4S MolecularWeight: 411.85816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H14ClNO4S/c1-12-2-4-13(5-3-12)20-23-15(11-28-20)10-26-21(25)19-9-17(24)16-8-14(22)6-7-18(16)27-19/h2-9,11H,10H2,1H3