[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[methyl(o-anisyl)amino]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N(C)CC2=CC=CC=C2OC

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N(C)CC2=CC=CC=C2OC

InChI

InChI=1S/C21H23NO5S/c1-15(23)14-28-19-11-7-5-9-17(19)21(25)27-13-20(24)22(2)12-16-8-4-6-10-18(16)26-3/h4-11H,12-14H2,1-3H3