4-[[5-methyl-3-propan-2-yloxycarbonyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-methyl-3-propan-2-yloxycarbonyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-isopropoxycarbonyl-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-methyl-3-[oxo(propan-2-yloxy)methyl]-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-methyl-3-propan-2-yloxycarbonyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(3-isopropoxycarbonyl-5-methyl-4-p-cumenyl-2-thienyl)amino]-4-keto-butyric acid Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-12(2)15-6-8-16(9-7-15)19-14(5)29-21(20(19)22(27)28-13(3)4)23-17(24)10-11-18(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)(H,25,26)