[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-12(2)19(22-20(24)15-6-8-16(26-5)9-7-15)21(25)27-11-18(23)17-10-13(3)28-14(17)4/h6-10,12,19H,11H2,1-5H3,(H,22,24)/t19-/m0/s1