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

Systemtic Name: methyl 1-butyl-2-[(2-cyanothiophen-3-yl)-phenyl-methyl]indole-3-carboxylate Openeye Name: methyl 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]indole-3-carboxylate CAS Name: 1-butyl-2-[(2-cyano-3-thiophenyl)-phenylmethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-[(2-cyanothiophen-3-yl)-phenylmethyl]indole-3-carboxylate Traditional Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]indole-3-carboxylic acid methyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2S/c1-3-4-15-28-21-13-9-8-12-19(21)24(26(29)30-2)25(28)23(18-10-6-5-7-11-18)20-14-16-31-22(20)17-27/h5-14,16,23H,3-4,15H2,1-2H3