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

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-(ethoxycarbonylamino)benzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(ethoxycarbonylamino)benzoate CAS Name: 3-(ethoxycarbonylamino)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] 3-(ethoxycarbonylamino)benzoate Traditional Name: 3-(carbethoxyamino)benzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C23H21N3O5S2/c1-2-30-23(29)24-16-7-3-6-15(12-16)22(28)31-14-21(27)26-18(20-9-5-11-33-20)13-17(25-26)19-8-4-10-32-19/h3-12,18H,2,13-14H2,1H3,(H,24,29)