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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

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