ethyl 5-azanyl-1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-oxidanylidene-3H-pyrrole-4-carboxylate Openeye Name: ethyl 5-amino-1-(2-chloro-5-morpholinosulfonyl-phenyl)-2-oxo-3H-pyrrole-4-carboxylate CAS Name: 5-amino-1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-oxo-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-oxo-3H-pyrrole-4-carboxylate Traditional Name: 2-amino-1-(2-chloro-5-morpholinosulfonyl-phenyl)-5-keto-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H20ClN3O6S MolecularWeight: 429.8752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O6S/c1-2-27-17(23)12-10-15(22)21(16(12)19)14-9-11(3-4-13(14)18)28(24,25)20-5-7-26-8-6-20/h3-4,9H,2,5-8,10,19H2,1H3