methyl 1-butyl-2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]indole-3-carboxylate

Systemtic Name: methyl 1-butyl-2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]indole-3-carboxylate Openeye Name: methyl 1-butyl-2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]indole-3-carboxylate CAS Name: 1-butyl-2-[[4-(2-cyano-3-thiophenyl)phenyl]-hydroxymethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-[[4-(2-cyanothiophen-3-yl)phenyl]-hydroxymethyl]indole-3-carboxylate Traditional Name: 1-butyl-2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]indole-3-carboxylic acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O)C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O)C(=O)OC

InChI

InChI=1S/C26H24N2O3S/c1-3-4-14-28-21-8-6-5-7-20(21)23(26(30)31-2)24(28)25(29)18-11-9-17(10-12-18)19-13-15-32-22(19)16-27/h5-13,15,25,29H,3-4,14H2,1-2H3