methyl 7-chloranyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: methyl 7-chloranyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: methyl 2-benzylsulfanyl-7-chloro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-4-oxo-2-(phenylmethylthio)-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-7-chloro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-(benzylthio)-7-chloro-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C18H14ClNO3S MolecularWeight: 359.82666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1=O)C=CC(=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1=O)C=CC(=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO3S/c1-23-18(22)15-16(21)13-8-7-12(19)9-14(13)20-17(15)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)