ethyl 1-(1,3-benzothiazol-2-yl)-5-[(1-thiophen-2-ylpropylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(1-thiophen-2-ylpropylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[1-(2-thienyl)propylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[(1-thiophen-2-ylpropylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(1-thiophen-2-ylpropylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[[1-(2-thienyl)propylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NCC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CS1)NCC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C21H22N4O2S2/c1-3-15(18-10-7-11-28-18)22-13-17-14(20(26)27-4-2)12-23-25(17)21-24-16-8-5-6-9-19(16)29-21/h5-12,15,22H,3-4,13H2,1-2H3