3-(4-tert-butylphenyl)sulfanyl-5-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)sulfanyl-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)thio]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-tert-butylphenyl)thio]-5-chloro-1H-indole-2-carboxylic acid Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO2S/c1-19(2,3)11-4-7-13(8-5-11)24-17-14-10-12(20)6-9-15(14)21-16(17)18(22)23/h4-10,21H,1-3H3,(H,22,23)