[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c19-12-8-9-15(20-10-12)22-16(23)11-25-18(24)7-3-6-17-21-13-4-1-2-5-14(13)26-17/h1-2,4-5,8-10H,3,6-7,11H2,(H,20,22,23)