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

Systemtic Name: O1-ethyl O4-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(1-mesylindolin-5-yl)ethyl] ester Formula: C17H19NO7S MolecularWeight: 381.40026

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7S/c1-3-24-16(20)6-7-17(21)25-11-15(19)13-4-5-14-12(10-13)8-9-18(14)26(2,22)23/h4-7,10H,3,8-9,11H2,1-2H3/b7-6+