ethyl 1-[5-chloranyl-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-[(3-ethoxy-3-oxo-propanoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[(3-ethoxy-1,3-dioxopropyl)amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-[(3-ethoxy-3-oxopropanoyl)amino]phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-[(3-ethoxy-3-keto-propanoyl)amino]phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C18H19ClN2O7S MolecularWeight: 442.87066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

InChI

InChI=1S/C18H19ClN2O7S/c1-3-27-17(23)11-16(22)20-13-8-7-12(19)10-15(13)29(25,26)21-9-5-6-14(21)18(24)28-4-2/h5-10H,3-4,11H2,1-2H3,(H,20,22)