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

Systemtic Name: ethyl (2R)-2-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(5-methyl-1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(5-methyl-1,3-diphenylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]propionic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)18(14-29)23-21(26)19-15(2)25(17-12-8-5-9-13-17)24-20(19)16-10-6-4-7-11-16/h4-13,18,29H,3,14H2,1-2H3,(H,23,26)/t18-/m0/s1