ethyl (3S)-4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S)-4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]thiomorpholine-3-carboxylate CAS Name: (3S)-4-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)thiomorpholine-3-carboxylate Traditional Name: (3S)-4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1CSCCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S2/c1-2-27-21(26)18-14-28-12-10-23(18)20(25)17-13-16(19-9-6-11-29-19)22-24(17)15-7-4-3-5-8-15/h3-9,11,13,18H,2,10,12,14H2,1H3/t18-/m1/s1