[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(p-anisoylamino)butyric acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H23NO5S2/c1-13-4-9-18(28-13)17(22)12-26-20(24)16(10-11-27-3)21-19(23)14-5-7-15(25-2)8-6-14/h4-9,16H,10-12H2,1-3H3,(H,21,23)/t16-/m0/s1