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

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-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] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-3-25-12-4-5-13-14(9-12)27-18(21-13)22-16(23)10(2)26-17(24)11-6-7-20-15(19)8-11/h4-10H,3H2,1-2H3,(H,21,22,23)