5-[[4-(4-methoxyphenyl)-5-methyl-3-propoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-methyl-3-propoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-methoxyphenyl)-5-methyl-3-propoxycarbonyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-(4-methoxyphenyl)-5-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-methyl-3-propoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[4-(4-methoxyphenyl)-5-methyl-3-propoxycarbonyl-2-thienyl]amino]valeric acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)CCCC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H25NO6S/c1-4-12-28-21(26)19-18(14-8-10-15(27-3)11-9-14)13(2)29-20(19)22-16(23)6-5-7-17(24)25/h8-11H,4-7,12H2,1-3H3,(H,22,23)(H,24,25)