ethyl (3S)-4-(2,5-diphenylpyrazol-3-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S)-4-(2,5-diphenylpyrazol-3-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-4-(2,5-diphenylpyrazole-3-carbonyl)thiomorpholine-3-carboxylate CAS Name: (3S)-4-[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-(2,5-diphenylpyrazole-3-carbonyl)thiomorpholine-3-carboxylate Traditional Name: (3S)-4-(2,5-diphenylpyrazole-3-carbonyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CSCCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-2-29-23(28)21-16-30-14-13-25(21)22(27)20-15-19(17-9-5-3-6-10-17)24-26(20)18-11-7-4-8-12-18/h3-12,15,21H,2,13-14,16H2,1H3/t21-/m1/s1