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

Systemtic Name: 2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C21H21N4O3S2- MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-29-9-5-18(21(27)28)24-19(26)16-4-2-3-15(11-16)12-17(20-23-7-10-30-20)13-25-8-6-22-14-25/h2-4,6-8,10-12,14,18H,5,9,13H2,1H3,(H,24,26)(H,27,28)/p-1/b17-12+