(2S)-1-[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(Z)-2-benzamido-3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(Z)-2-benzamido-3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]acryloyl]proline Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC=C(C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/C=C(/C(=O)N2CCC[C@H]2C(=O)O)\NC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C23H25N5O6S/c1-3-34-22(33)15-12-25-23(35-2)27-18(15)24-13-16(26-19(29)14-8-5-4-6-9-14)20(30)28-11-7-10-17(28)21(31)32/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,26,29)(H,31,32)(H,24,25,27)/b16-13-/t17-/m0/s1