O1-ethyl O4-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(1-esylindolin-5-yl)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)CC

InChI

InChI=1S/C18H21NO7S/c1-3-25-17(21)7-8-18(22)26-12-16(20)14-5-6-15-13(11-14)9-10-19(15)27(23,24)4-2/h5-8,11H,3-4,9-10,12H2,1-2H3/b8-7+