methyl 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate

Systemtic Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate Openeye Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-isobutyryl-indole-6-carboxylic acid methyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=NC4=CC=CC=C4S3)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=NC4=CC=CC=C4S3)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C24H24N2O3S/c1-5-18-22(23(27)14(2)3)16-11-10-15(24(28)29-4)12-19(16)26(18)13-21-25-17-8-6-7-9-20(17)30-21/h6-12,14H,5,13H2,1-4H3