[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)NCC3=CC=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OCC(=O)NCC3=CC=CS3)C)C

InChI

InChI=1S/C19H20N4O3S/c1-12-6-7-16(13(2)9-12)23-21-14(3)18(22-23)19(25)26-11-17(24)20-10-15-5-4-8-27-15/h4-9H,10-11H2,1-3H3,(H,20,24)