methyl (2S)-1-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonylamino]prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonylamino]prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[[2-(3-pyridyl)thiazole-4-carbonyl]amino]prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-[[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]amino]prop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[2-(3-pyridyl)thiazole-4-carbonyl]amino]acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(=C)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C(=C)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O4S/c1-11(17(24)22-8-4-6-14(22)18(25)26-2)20-15(23)13-10-27-16(21-13)12-5-3-7-19-9-12/h3,5,7,9-10,14H,1,4,6,8H2,2H3,(H,20,23)/t14-/m0/s1