[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S2/c17-10-5-6-13(18-7-10)20-14(21)8-23-15(22)9-24-16-19-11-3-1-2-4-12(11)25-16/h1-7H,8-9H2,(H,18,20,21)