(Z)-7-[[(4-tert-butylphenyl)amino]-thiophen-2-ylcarbonyl-amino]hept-5-enoic acid

Systemtic Name: (Z)-7-[[(4-tert-butylphenyl)amino]-thiophen-2-ylcarbonyl-amino]hept-5-enoic acid Openeye Name: (Z)-7-[(4-tert-butylanilino)-(thiophene-2-carbonyl)amino]hept-5-enoic acid CAS Name: (Z)-7-[(4-tert-butylanilino)-[oxo(thiophen-2-yl)methyl]amino]-5-heptenoic acid IUPAC Name: (Z)-7-[(4-tert-butylanilino)-(thiophene-2-carbonyl)amino]hept-5-enoic acid Traditional Name: (Z)-7-[(4-tert-butylanilino)-(2-thenoyl)amino]hept-5-enoic acid Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NN(CC=CCCCC(=O)O)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NN(C/C=C\CCCC(=O)O)C(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)17-11-13-18(14-12-17)23-24(21(27)19-9-8-16-28-19)15-7-5-4-6-10-20(25)26/h5,7-9,11-14,16,23H,4,6,10,15H2,1-3H3,(H,25,26)/b7-5-