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

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(2-furyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-2-benzamido-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(2-furyl)acryloyl]amino]-4-(methylthio)butyrate Formula: C19H19N2O5S- MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(=CC1=CC=CO1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-27-11-9-15(19(24)25)20-18(23)16(12-14-8-5-10-26-14)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