ethyl 3-[(E)-1-cyano-3-ethoxy-3-oxidanylidene-2-[1-(phenylsulfonyl)indol-3-yl]prop-1-enyl]indole-1-carboxylate

Systemtic Name: ethyl 3-[(E)-1-cyano-3-ethoxy-3-oxidanylidene-2-[1-(phenylsulfonyl)indol-3-yl]prop-1-enyl]indole-1-carboxylate Openeye Name: ethyl 3-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]-1-cyano-3-ethoxy-3-oxo-prop-1-enyl]indole-1-carboxylate CAS Name: 3-[(E)-2-[1-(benzenesulfonyl)-3-indolyl]-1-cyano-3-ethoxy-3-oxoprop-1-enyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-2-[1-(benzenesulfonyl)indol-3-yl]-1-cyano-3-ethoxy-3-oxoprop-1-enyl]indole-1-carboxylate Traditional Name: 3-[(E)-2-(1-besylindol-3-yl)-1-cyano-3-ethoxy-3-keto-prop-1-enyl]indole-1-carboxylic acid ethyl ester Formula: C31H25N3O6S MolecularWeight: 567.6117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C#N)C1=CN(C2=CC=CC=C21)C(=O)OCC)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)/C(=C(/C#N)\C1=CN(C2=CC=CC=C21)C(=O)OCC)/C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O6S/c1-3-39-30(35)29(24(18-32)25-19-33(31(36)40-4-2)27-16-10-8-14-22(25)27)26-20-34(28-17-11-9-15-23(26)28)41(37,38)21-12-6-5-7-13-21/h5-17,19-20H,3-4H2,1-2H3/b29-24-