[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-2-13(23-16(22)11-6-5-9-18-10-11)15(21)20-17-19-12-7-3-4-8-14(12)24-17/h3-10,13H,2H2,1H3,(H,19,20,21)