[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-25-17-5-2-4-15(12-17)13-22-19(23)14-26-20(24)6-3-11-27-18-9-7-16(21)8-10-18/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,23)