2-[[4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-pyridin-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-pyridin-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-2-(3-pyridyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]-2-(3-pyridinyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-pyridin-3-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-2-(3-pyridyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C26H24N5O3S2- MolecularWeight: 518.63046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)C=C(CN2C=CN=C2)C3=NC=CS3)C4=CN=CC=C4

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)/C=C(\CN2C=CN=C2)/C3=NC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5O3S2/c1-35-11-6-23(26(33)34)30-24(32)21-5-4-18(14-22(21)19-3-2-7-27-15-19)13-20(25-29-9-12-36-25)16-31-10-8-28-17-31/h2-5,7-10,12-15,17,23H,6,11,16H2,1H3,(H,30,32)(H,33,34)/p-1/b20-13+