ethyl 2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CSCC(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C17H18N2O3S3/c1-2-22-17(21)11-23-10-16(20)19-13(15-6-4-8-25-15)9-12(18-19)14-5-3-7-24-14/h3-8,13H,2,9-11H2,1H3/t13-/m0/s1