[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=C(N=CC=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(COC(=O)C4=C(N=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C24H20ClN3O5S/c1-15-12-16(32-13-21-27-18-7-3-4-8-20(18)34-21)9-10-19(15)28(24(30)31-2)14-33-23(29)17-6-5-11-26-22(17)25/h3-12H,13-14H2,1-2H3