ethyl 4-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 4-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-2-[(4-methoxyphenyl)methylsulfanylmethyl]-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-4-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-2-[(4-methoxyphenyl)methylsulfanylmethyl]butanoate CAS Name: 4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-[[(4-methoxyphenyl)methylthio]methyl]-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-[(4-methoxyphenyl)methylsulfanylmethyl]butanoate Traditional Name: 2-benzyl-4-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]-2-[(p-anisylthio)methyl]butyric acid ethyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NCCC(CC1=CC=CC=C1)(CSCC2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)NCCC(CC1=CC=CC=C1)(CSCC2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C27H37NO5S/c1-5-32-25(29)21(3)28-17-16-27(26(30)33-6-2,18-22-10-8-7-9-11-22)20-34-19-23-12-14-24(31-4)15-13-23/h7-15,21,28H,5-6,16-20H2,1-4H3