diethyl (Z)-2-(1-ethoxycarbonylindol-3-yl)-3-[1-(phenylsulfonyl)indol-3-yl]but-2-enedioate

Systemtic Name: diethyl (Z)-2-(1-ethoxycarbonylindol-3-yl)-3-[1-(phenylsulfonyl)indol-3-yl]but-2-enedioate Openeye Name: diethyl (Z)-2-[1-(benzenesulfonyl)indol-3-yl]-3-(1-ethoxycarbonylindol-3-yl)but-2-enedioate CAS Name: (Z)-2-[1-(benzenesulfonyl)-3-indolyl]-3-(1-ethoxycarbonyl-3-indolyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (Z)-2-[1-(benzenesulfonyl)indol-3-yl]-3-(1-ethoxycarbonylindol-3-yl)but-2-enedioate Traditional Name: (Z)-2-(1-besylindol-3-yl)-3-(1-carbethoxyindol-3-yl)but-2-enedioic acid diethyl ester Formula: C33H30N2O8S MolecularWeight: 614.6649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC)C4=CN(C5=CC=CC=C54)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)\C(=O)OCC)/C4=CN(C5=CC=CC=C54)C(=O)OCC

InChI

InChI=1S/C33H30N2O8S/c1-4-41-31(36)29(25-20-34(33(38)43-6-3)27-18-12-10-16-23(25)27)30(32(37)42-5-2)26-21-35(28-19-13-11-17-24(26)28)44(39,40)22-14-8-7-9-15-22/h7-21H,4-6H2,1-3H3/b30-29-