(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H24ClNO5S MolecularWeight: 473.96906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C)SCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C24H24ClNO5S/c1-4-16-9-21-19(11-20(16)25)17(10-23(28)31-21)12-30-24(29)15(3)32-13-22(27)26-18-7-5-14(2)6-8-18/h5-11,15H,4,12-13H2,1-3H3,(H,26,27)