[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(methylamino)benzoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(methylamino)benzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H19N3O3S2/c1-22-15-7-3-2-6-14(15)21(26)27-13-20(25)24-17(19-9-5-11-29-19)12-16(23-24)18-8-4-10-28-18/h2-11,17,22H,12-13H2,1H3