2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-5-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]-5-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-5-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C27H25N4O3S2- MolecularWeight: 517.6424

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3S2/c1-35-11-7-24(27(33)34)30-25(32)22-14-19(13-21(16-22)20-5-3-2-4-6-20)15-23(26-29-9-12-36-26)17-31-10-8-28-18-31/h2-6,8-10,12-16,18,24H,7,11,17H2,1H3,(H,30,32)(H,33,34)/p-1/b23-15+