(2-chloranylquinolin-3-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C20H16ClNO3S/c1-13(23)12-26-18-9-5-3-7-16(18)20(24)25-11-15-10-14-6-2-4-8-17(14)22-19(15)21/h2-10H,11-12H2,1H3