(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H14ClNO4S MolecularWeight: 375.82606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC)Cl

InChI

InChI=1S/C18H14ClNO4S/c1-10-6-15-13(8-14(10)19)11(7-16(21)24-15)9-23-18(22)12-4-3-5-20-17(12)25-2/h3-8H,9H2,1-2H3