1-[(2-chloranyl-1-benzothiophen-3-yl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-1-benzothiophen-3-yl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorobenzothiophen-3-yl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-[(2-chlorobenzothiophen-3-yl)methyl]-3-isobutyryl-2-methyl-indole-6-carboxylic acid Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=C(SC4=CC=CC=C43)Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=C(SC4=CC=CC=C43)Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C23H20ClNO3S/c1-12(2)21(26)20-13(3)25(18-10-14(23(27)28)8-9-16(18)20)11-17-15-6-4-5-7-19(15)29-22(17)24/h4-10,12H,11H2,1-3H3,(H,27,28)