[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-3-7-19(16-8-5-4-6-9-16)22-20(23)14-26-21(24)15-27-18-12-10-17(25-2)11-13-18/h4-6,8-13,19H,3,7,14-15H2,1-2H3,(H,22,23)/t19-/m1/s1