ethyl 4-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-[(5-cyclopentyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-cyclopentyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-[(5-cyclopentyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C23H30N4O3S/c1-2-30-23(29)20-16-31-13-12-26(20)15-22(28)24-21-14-19(17-8-6-7-9-17)25-27(21)18-10-4-3-5-11-18/h3-5,10-11,14,17,20H,2,6-9,12-13,15-16H2,1H3,(H,24,28)