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

Systemtic Name: [1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-13-3-9-18-19(11-13)31-22(27-18)15-4-7-17(8-5-15)26-21(28)14(2)30-23(29)16-6-10-20(24)25-12-16/h3-12,14H,1-2H3,(H,26,28)