(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17NO4S2 MolecularWeight: 423.50468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C22H17NO4S2/c1-14-2-7-19-16(9-21(24)27-20(19)8-14)10-26-22(25)15-3-5-18(6-4-15)29-12-17-11-28-13-23-17/h2-9,11,13H,10,12H2,1H3