[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-15(23)22-12-11-16-3-5-17(6-4-16)20(24)13-27-21(25)14-28-19-9-7-18(26-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,22,23)