[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S2/c18-16-12(5-3-8-19-16)20-14(22)10-24-15(23)7-9-25-17-21-11-4-1-2-6-13(11)26-17/h1-6,8H,7,9-10H2,(H,20,22)