[4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-1H-indol-3-yl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)C3=C(NC4=CC=CC=C43)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)C3=C(NC4=CC=CC=C43)C)OC

InChI

InChI=1S/C27H22N2O5S/c1-17-8-11-21(12-9-17)35(31,32)34-24-13-10-19(15-25(24)33-3)14-20(16-28)27(30)26-18(2)29-23-7-5-4-6-22(23)26/h4-15,29H,1-3H3/b20-14+