[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic 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=CC=NC=C3

Isomeric SMILES

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

InChI

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