5-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-3-methyl-5-oxo-pentanoic acid CAS Name: 5-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-3-methyl-5-oxopentanoic acid IUPAC Name: 5-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid Traditional Name: 5-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-5-keto-3-methyl-valeric acid Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CC(C)CC(=O)O

InChI

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