(2R)-2-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(2-thienyl)acryloyl]amino]-4-(methylthio)butyrate Formula: C19H19N2O4S2- MolecularWeight: 403.49516

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(=CC1=CC=CS1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC(=O)/C(=C\C1=CC=CS1)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S2/c1-26-11-9-15(19(24)25)20-18(23)16(12-14-8-5-10-27-14)21-17(22)13-6-3-2-4-7-13/h2-8,10,12,15H,9,11H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-1/b16-12+/t15-/m1/s1