methyl 2-[(9-chloranyl-5,6,7,8-tetrahydroacridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(9-chloranyl-5,6,7,8-tetrahydroacridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-26-20(25)16(9-10-27-2)23-19(24)12-7-8-14-17(11-12)22-15-6-4-3-5-13(15)18(14)21/h7-8,11,16H,3-6,9-10H2,1-2H3,(H,23,24)