ethyl 2,4-dimethyl-5-[[(3-methylsulfonylphenyl)carbonylamino]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(3-methylsulfonylphenyl)carbonylamino]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(3-methylsulfonylbenzoyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[(3-methylsulfonylphenyl)-oxomethyl]hydrazo]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(3-methylsulfonylbenzoyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(3-mesylbenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C18H21N3O6S/c1-5-27-18(24)14-10(2)15(19-11(14)3)17(23)21-20-16(22)12-7-6-8-13(9-12)28(4,25)26/h6-9,19H,5H2,1-4H3,(H,20,22)(H,21,23)