5-[[3-methoxycarbonyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-methoxycarbonyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-isobutylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-methoxycarbonyl-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-methoxycarbonyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-carbomethoxy-4-(4-isobutylphenyl)-2-thienyl]amino]-5-keto-valeric acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H25NO5S/c1-13(2)11-14-7-9-15(10-8-14)16-12-28-20(19(16)21(26)27-3)22-17(23)5-4-6-18(24)25/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)(H,24,25)