ethyl (2R)-2-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propionic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3O4S/c1-3-23-16(21)14(9-24)17-15(20)13-8-12(18-19-13)10-4-6-11(22-2)7-5-10/h4-8,14,24H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t14-/m0/s1