1-(3-chloranyl-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H19ClN2O3S/c1-25-17-6-4-13(10-15(17)20)16(23)12-26-18-7-5-14(11-21-18)19(24)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3