[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H24N2O6S/c1-3-7-18(22)26-13-17(21)19-14-8-9-15(25-4-2)16(12-14)27(23,24)20-10-5-6-11-20/h3,7-9,12H,4-6,10-11,13H2,1-2H3,(H,19,21)/b7-3+