[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H25NO5S/c1-12-6-8-19(26-5)17(10-12)22-21(25)14(3)27-20(24)9-7-18(23)16-11-13(2)28-15(16)4/h6,8,10-11,14H,7,9H2,1-5H3,(H,22,25)/t14-/m0/s1