methyl 3-[(6-chloranyl-1-methyl-4-methylsulfanyl-3-oxidanylidene-pyrazolo[4,3-c]quinolin-2-yl)methyl]benzoate

Systemtic Name: methyl 3-[(6-chloranyl-1-methyl-4-methylsulfanyl-3-oxidanylidene-pyrazolo[4,3-c]quinolin-2-yl)methyl]benzoate Openeye Name: methyl 3-[(6-chloro-1-methyl-4-methylsulfanyl-3-oxo-pyrazolo[4,3-c]quinolin-2-yl)methyl]benzoate CAS Name: 3-[[6-chloro-1-methyl-4-(methylthio)-3-oxo-2-pyrazolo[4,3-c]quinolinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-1-methyl-4-methylsulfanyl-3-oxopyrazolo[4,3-c]quinolin-2-yl)methyl]benzoate Traditional Name: 3-[[6-chloro-3-keto-1-methyl-4-(methylthio)pyrazolo[4,3-c]quinolin-2-yl]methyl]benzoic acid methyl ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC3=C2C=CC=C3Cl)SC)C(=O)N1CC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=NC3=C2C=CC=C3Cl)SC)C(=O)N1CC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H18ClN3O3S/c1-24-18-14-8-5-9-15(22)17(14)23-19(29-3)16(18)20(26)25(24)11-12-6-4-7-13(10-12)21(27)28-2/h4-10H,11H2,1-3H3