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

Systemtic Name: (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-thiophen-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[5-(4-tert-butylphenyl)-2-carbomethoxy-3-thienyl]amino]-4-keto-but-2-enoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H21NO5S/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(18(27-15)19(25)26-4)21-16(22)9-10-17(23)24/h5-11H,1-4H3,(H,21,22)(H,23,24)/b10-9+