2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]thiazole-4-carboxylic acid Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=NC(=CS4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C22H17ClN2O4S/c1-12-16(10-20-24-18(11-30-20)22(27)28)17-9-15(29-2)7-8-19(17)25(12)21(26)13-3-5-14(23)6-4-13/h3-9,11H,10H2,1-2H3,(H,27,28)