2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(Z)-2-benzamido-3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]acryloyl]amino]acetic acid Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/C=C(/C(=O)NCC(=O)O)\NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C20H21N5O6S/c1-3-31-19(30)13-9-23-20(32-2)25-16(13)21-10-14(18(29)22-11-15(26)27)24-17(28)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,22,29)(H,24,28)(H,26,27)(H,21,23,25)/b14-10-