methyl 1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-(benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate CAS Name: 1-(1-benzothiophen-5-ylmethyl)-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propylindole-6-carboxylate Traditional Name: 1-(benzothiophen-5-ylmethyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3)SC=C4)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3)SC=C4)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C26H27NO3S/c1-5-6-21-24(25(28)16(2)3)20-9-8-19(26(29)30-4)14-22(20)27(21)15-17-7-10-23-18(13-17)11-12-31-23/h7-14,16H,5-6,15H2,1-4H3