1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-3-isobutyryl-indole-6-carboxylic acid Formula: C23H22N2O3S MolecularWeight: 406.49738

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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)O)C(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-4-17-21(22(26)13(2)3)15-10-9-14(23(27)28)11-18(15)25(17)12-20-24-16-7-5-6-8-19(16)29-20/h5-11,13H,4,12H2,1-3H3,(H,27,28)