methyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: methyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: methyl 6-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 6-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 6-[[2-chloro-5-(methylthio)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

COC(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H19ClN2O3S/c1-25-19(24)22-9-3-4-12-10-13(5-8-17(12)22)21-18(23)15-11-14(26-2)6-7-16(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)