5-chloranyl-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[(3,5-dimethoxyphenyl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[(3,5-dimethoxyphenyl)thio]-1H-indole-2-carboxylic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)OC

InChI

InChI=1S/C17H14ClNO4S/c1-22-10-6-11(23-2)8-12(7-10)24-16-13-5-9(18)3-4-14(13)19-15(16)17(20)21/h3-8,19H,1-2H3,(H,20,21)