methyl 6-ethanoyl-4-ethylsulfanyl-7-oxidanylidene-8-propyl-1H-quinoline-2-carboxylate

Systemtic Name: methyl 6-ethanoyl-4-ethylsulfanyl-7-oxidanylidene-8-propyl-1H-quinoline-2-carboxylate Openeye Name: methyl 6-acetyl-4-ethylsulfanyl-7-oxo-8-propyl-1H-quinoline-2-carboxylate CAS Name: 6-acetyl-4-(ethylthio)-7-oxo-8-propyl-1H-quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-4-ethylsulfanyl-7-oxo-8-propyl-1H-quinoline-2-carboxylate Traditional Name: 6-acetyl-4-(ethylthio)-7-keto-8-propyl-1H-quinoline-2-carboxylic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C(N2)C(=O)OC)SCC)C=C(C1=O)C(=O)C

Isomeric SMILES

CCCC1=C2C(=C(C=C(N2)C(=O)OC)SCC)C=C(C1=O)C(=O)C

InChI

InChI=1S/C18H21NO4S/c1-5-7-11-16-13(8-12(10(3)20)17(11)21)15(24-6-2)9-14(19-16)18(22)23-4/h8-9,19H,5-7H2,1-4H3