2-[[4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-thiophen-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-thiophen-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-thienyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]-2-(3-thiophenyl)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-thiophen-3-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-2-(3-thienyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C25H23N4O3S3- MolecularWeight: 523.67012

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S3/c1-33-9-5-22(25(31)32)28-23(30)20-3-2-17(13-21(20)18-4-10-34-15-18)12-19(24-27-7-11-35-24)14-29-8-6-26-16-29/h2-4,6-8,10-13,15-16,22H,5,9,14H2,1H3,(H,28,30)(H,31,32)/p-1/b19-12+