ethyl (2R)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-2-27-21(26)18(14-28)22-20(25)17-13-24(16-11-7-4-8-12-16)23-19(17)15-9-5-3-6-10-15/h3-13,18,28H,2,14H2,1H3,(H,22,25)/t18-/m0/s1