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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S2/c1-11(2)27-18(26)15-12(3)16(21-13(15)4)17(25)22-19-23-24-20(29-19)28-10-14-8-6-5-7-9-14/h5-9,11,21H,10H2,1-4H3,(H,22,23,25)