ethyl 2,4-dimethyl-5-[(2S)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(1H-1,2,4-triazol-5-ylthio)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC=NN2)C

InChI

InChI=1S/C14H18N4O3S/c1-5-21-13(20)10-7(2)11(17-8(10)3)12(19)9(4)22-14-15-6-16-18-14/h6,9,17H,5H2,1-4H3,(H,15,16,18)/t9-/m0/s1