ethyl 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CNC2=CC3=C(C=C2)N=C(S3)C(=O)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CNC2=CC3=C(C=C2)N=C(S3)C(=O)C(=O)N)C

InChI

InChI=1S/C19H20N4O4S/c1-4-27-19(26)15-9(2)12(10(3)22-15)8-21-11-5-6-13-14(7-11)28-18(23-13)16(24)17(20)25/h5-7,21-22H,4,8H2,1-3H3,(H2,20,25)