[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c19-16-14(3-1-8-20-16)21-15(22)11-24-17(23)12-4-6-13(7-5-12)18-25-9-2-10-26-18/h1,3-8,18H,2,9-11H2,(H,21,22)