5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-[2-(3-thienyl)ethynyl]indole CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-[2-(3-thiophenyl)ethynyl]indole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-3-[2-(3-thienyl)ethynyl]indole Formula: C29H21NO3S MolecularWeight: 463.54694

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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=C(C=C5)OC)C#CC6=CSC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H21NO3S/c1-30-26-11-6-21(22-7-12-27-28(16-22)33-18-32-27)15-25(26)24(10-3-19-13-14-34-17-19)29(30)20-4-8-23(31-2)9-5-20/h4-9,11-17H,18H2,1-2H3