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(E)-3-azanyl-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid

(E)-3-azanyl-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid

Systemtic Name:(E)-3-azanyl-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxidanylidene-3-phenyl-hex-5-enoic acid
Openeye Name:(E)-3-amino-6-(4-cyclopropylthiazol-2-yl)-2,2-diethyl-4-oxo-3-phenyl-hex-5-enoic acid
CAS Name:(E)-3-amino-6-(4-cyclopropyl-2-thiazolyl)-2,2-diethyl-4-oxo-3-phenyl-5-hexenoic acid
IUPAC Name:(E)-3-amino-6-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-diethyl-4-oxo-3-phenylhex-5-enoic acid
Traditional Name:(E)-3-amino-6-(4-cyclopropylthiazol-2-yl)-2,2-diethyl-4-keto-3-phenyl-hex-5-enoic acid
Formula: C22H26N2O3S
MolecularWeight: 398.51844
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CC3)N


Isomeric SMILES

CCC(CC)(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CC3)N


InChI

InChI=1S/C22H26N2O3S/c1-3-21(4-2,20(26)27)22(23,16-8-6-5-7-9-16)18(25)12-13-19-24-17(14-28-19)15-10-11-15/h5-9,12-15H,3-4,10-11,23H2,1-2H3,(H,26,27)/b13-12+


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