(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21Cl2NO5S MolecularWeight: 494.38754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C23H21Cl2NO5S/c1-13-9-20-16(11-18(13)25)14(10-21(27)31-20)12-30-23(29)19(7-8-32-2)26-22(28)15-5-3-4-6-17(15)24/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,26,28)