2-[2-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[[4-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[[4-(4-tert-butylphenyl)-3-carbethoxy-2-thienyl]amino]-2-keto-ethoxy]acetic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)COCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)COCC(=O)O

InChI

InChI=1S/C21H25NO6S/c1-5-28-20(26)18-15(13-6-8-14(9-7-13)21(2,3)4)12-29-19(18)22-16(23)10-27-11-17(24)25/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)(H,24,25)