2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]-4-(methylthio)butyric acid Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(=CNC1=C(C=CC=N1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C(=C/NC1=C(C=CC=N1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N5O6S/c1-32-11-9-14(20(28)29)23-19(27)15(24-18(26)13-6-3-2-4-7-13)12-22-17-16(25(30)31)8-5-10-21-17/h2-8,10,12,14H,9,11H2,1H3,(H,21,22)(H,23,27)(H,24,26)(H,28,29)/b15-12-