methyl 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]amino]methyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-13-10-16(23-27-13)12-28-19-17(4-3-9-21-19)18(24)22-11-14-5-7-15(8-6-14)20(25)26-2/h3-10H,11-12H2,1-2H3,(H,22,24)