5-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(3-methoxyphenyl)-3-(2-thienyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(5S)-3-(3-methoxyphenyl)-5-(2-thienyl)-3-pyrazolin-1-yl]valerate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(N(N2)C(=O)CCCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H20N2O4S/c1-25-14-6-2-5-13(11-14)15-12-16(17-7-4-10-26-17)21(20-15)18(22)8-3-9-19(23)24/h2,4-7,10-12,16,20H,3,8-9H2,1H3,(H,23,24)/p-1/t16-/m0/s1