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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-ethanoyl-amino]ethyl pyridine-4-carboxylate Openeye Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl ester IUPAC Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)C4=CC=NC=C4)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)C4=CC=NC=C4)C(=O)C

InChI

InChI=1S/C25H23N3O4S/c1-17-15-20(32-16-24-27-21-5-3-4-6-23(21)33-24)7-8-22(17)28(18(2)29)13-14-31-25(30)19-9-11-26-12-10-19/h3-12,15H,13-14,16H2,1-2H3