[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H15N3O3S/c1-10-3-4-13-14(9-10)24-17(19-13)20-15(21)11(2)23-16(22)12-5-7-18-8-6-12/h3-9,11H,1-2H3,(H,19,20,21)