[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C18H22N4O3S/c1-3-14-17(26-21-20-14)18(24)25-11-16(23)19-13-6-7-15(12(2)10-13)22-8-4-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)