(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C23H21NO6S/c1-28-17-6-7-19-15(9-22(26)30-20(19)11-17)13-29-23(27)14-8-21(25)24(12-14)16-4-3-5-18(10-16)31-2/h3-7,9-11,14H,8,12-13H2,1-2H3