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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl pyridine-3-carboxylate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl pyridine-3-carboxylate CAS Name: 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 pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-16-12-18(31-14-22-26-19-7-3-4-8-21(19)33-22)9-10-20(16)27(24(29)30-2)15-32-23(28)17-6-5-11-25-13-17/h3-13H,14-15H2,1-2H3