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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-4-10-27-21(26)19-16(15-9-8-13(2)14(3)11-15)12-28-20(19)22-17(23)6-5-7-18(24)25/h8-9,11-12H,4-7,10H2,1-3H3,(H,22,23)(H,24,25)