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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (7-hydroxy-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 (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H21NO6S/c1-13-3-5-16(6-4-13)23-20(25)12-30-14(2)22(27)28-11-15-9-21(26)29-19-10-17(24)7-8-18(15)19/h3-10,14,24H,11-12H2,1-2H3,(H,23,25)