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

Systemtic Name: 4-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-4-keto-butyrate Formula: C20H23N2O4S- MolecularWeight: 387.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-11-16(12-5-7-13(8-6-12)20(2,3)4)17(18(21)26)19(27-11)22-14(23)9-10-15(24)25/h5-8H,9-10H2,1-4H3,(H2,21,26)(H,22,23)(H,24,25)/p-1