(E)-2,2-diethyl-3-methanoyl-3-phenylazanyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)pent-4-enoic acid

Systemtic Name: (E)-2,2-diethyl-3-methanoyl-3-phenylazanyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)pent-4-enoic acid Openeye Name: (E)-3-anilino-2,2-diethyl-3-formyl-5-(4-isopropylthiazol-2-yl)pent-4-enoic acid CAS Name: (E)-3-anilino-2,2-diethyl-3-formyl-5-(4-propan-2-yl-2-thiazolyl)-4-pentenoic acid IUPAC Name: (E)-3-anilino-2,2-diethyl-3-formyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)pent-4-enoic acid Traditional Name: (E)-3-anilino-2,2-diethyl-3-formyl-5-(4-isopropylthiazol-2-yl)pent-4-enoic acid Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)C(C=CC1=NC(=CS1)C(C)C)(C=O)NC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C(=O)O)C(/C=C/C1=NC(=CS1)C(C)C)(C=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-5-21(6-2,20(26)27)22(15-25,24-17-10-8-7-9-11-17)13-12-19-23-18(14-28-19)16(3)4/h7-16,24H,5-6H2,1-4H3,(H,26,27)/b13-12+