ethyl 2,4-dimethyl-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4O3S2/c1-4-26-17(25)14-11(2)15(20-12(14)3)16(24)21-18-22-23-19(28-18)27-10-13-8-6-5-7-9-13/h5-9,20H,4,10H2,1-3H3,(H,21,22,24)