[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(diallylamino)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(diallylamino)-2-keto-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CC=C)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CC=C)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-4-11-23(12-5-2)19(25)14-27-21(26)18-13-17-15(3)22-24(20(17)28-18)16-9-7-6-8-10-16/h4-10,13H,1-2,11-12,14H2,3H3