ethyl (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C17H21N3O3S/c1-4-23-17(22)14(10-24)18-16(21)15-11(2)19-20(12(15)3)13-8-6-5-7-9-13/h5-9,14,24H,4,10H2,1-3H3,(H,18,21)/t14-/m0/s1