4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-tert-butylphenyl)-3-carbomethoxy-2-thienyl]amino]-4-keto-butyric acid Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H23NO5S/c1-20(2,3)13-7-5-12(6-8-13)14-11-27-18(17(14)19(25)26-4)21-15(22)9-10-16(23)24/h5-8,11H,9-10H2,1-4H3,(H,21,22)(H,23,24)