ethyl 4-(4-methoxyphenyl)-2-(2-oxidanylideneethyl)-2-(phenylmethyl)-3-sulfanyl-butanoate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(2-oxidanylideneethyl)-2-(phenylmethyl)-3-sulfanyl-butanoate Openeye Name: ethyl 2-benzyl-4-(4-methoxyphenyl)-2-(2-oxoethyl)-3-sulfanyl-butanoate CAS Name: 3-mercapto-4-(4-methoxyphenyl)-2-(2-oxoethyl)-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(4-methoxyphenyl)-2-(2-oxoethyl)-3-sulfanylbutanoate Traditional Name: 2-benzyl-2-(2-ketoethyl)-3-mercapto-4-(4-methoxyphenyl)butyric acid ethyl ester Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=O)(CC1=CC=CC=C1)C(CC2=CC=C(C=C2)OC)S

Isomeric SMILES

CCOC(=O)C(CC=O)(CC1=CC=CC=C1)C(CC2=CC=C(C=C2)OC)S

InChI

InChI=1S/C22H26O4S/c1-3-26-21(24)22(13-14-23,16-18-7-5-4-6-8-18)20(27)15-17-9-11-19(25-2)12-10-17/h4-12,14,20,27H,3,13,15-16H2,1-2H3