1,3-benzothiazol-2-ylmethyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13N3O3S2/c1-10-6-14(21)20-17(11(10)7-18)24-9-16(22)23-8-15-19-12-4-2-3-5-13(12)25-15/h2-6H,8-9H2,1H3,(H,20,21)