(E)-4-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C(=O)N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H22N2O4S/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/h5-10H,1-4H3,(H2,21,26)(H,22,23)(H,24,25)/b10-9+