ethyl 5-azanyl-1-(3-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(3-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-3H-pyrrole-4-carboxylate Openeye Name: ethyl 5-amino-1-(3-morpholinosulfonylphenyl)-2-oxo-3H-pyrrole-4-carboxylate CAS Name: 5-amino-1-[3-(4-morpholinylsulfonyl)phenyl]-2-oxo-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(3-morpholin-4-ylsulfonylphenyl)-2-oxo-3H-pyrrole-4-carboxylate Traditional Name: 2-amino-5-keto-1-(3-morpholinosulfonylphenyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)N

InChI

InChI=1S/C17H21N3O6S/c1-2-26-17(22)14-11-15(21)20(16(14)18)12-4-3-5-13(10-12)27(23,24)19-6-8-25-9-7-19/h3-5,10H,2,6-9,11,18H2,1H3