[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H17N3O4S/c1-3-24-13-4-5-14-15(10-13)26-18(20-14)21-16(22)11(2)25-17(23)12-6-8-19-9-7-12/h4-11H,3H2,1-2H3,(H,20,21,22)