5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-[2-(3-thienyl)ethynyl]indole CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-[2-(3-thiophenyl)ethynyl]indole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-(3,5-dimethoxyphenyl)-1-methyl-3-[2-(3-thienyl)ethynyl]indole Formula: C30H23NO4S MolecularWeight: 493.57292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=C1C5=CC(=CC(=C5)OC)OC)C#CC6=CSC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=C1C5=CC(=CC(=C5)OC)OC)C#CC6=CSC=C6

InChI

InChI=1S/C30H23NO4S/c1-31-27-8-5-20(21-6-9-28-29(15-21)35-18-34-28)14-26(27)25(7-4-19-10-11-36-17-19)30(31)22-12-23(32-2)16-24(13-22)33-3/h5-6,8-17H,18H2,1-3H3