methyl 3-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoate CAS Name: 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoate Traditional Name: 3-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]propionic acid methyl ester Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClNO3S/c1-24-16(22)9-10-25-18-17(12-5-3-2-4-6-12)14-11-13(20)7-8-15(14)21-19(18)23/h2-8,11H,9-10H2,1H3,(H,21,23)