4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(4-tert-butylphenyl)-3-carbomethoxy-5-methyl-2-thienyl]amino]-4-keto-butyrate Formula: C21H24NO5S- MolecularWeight: 402.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)OC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)OC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H25NO5S/c1-12-17(13-6-8-14(9-7-13)21(2,3)4)18(20(26)27-5)19(28-12)22-15(23)10-11-16(24)25/h6-9H,10-11H2,1-5H3,(H,22,23)(H,24,25)/p-1