ethyl 4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O4S/c1-3-32-25(30)23-17-33-14-13-27(23)16-24(29)28-22(19-9-11-20(31-2)12-10-19)15-21(26-28)18-7-5-4-6-8-18/h4-12,22-23H,3,13-17H2,1-2H3