[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C29H27NO6S/c1-19-3-10-24(11-4-19)37-14-13-30-27(31)18-35-29(33)22-7-5-21(6-8-22)17-34-23-9-12-25-20(2)15-28(32)36-26(25)16-23/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,31)