methyl 5-chloranyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(p-tolylsulfanyl)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[(4-methylphenyl)thio]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(p-tolylthio)-1H-indole-2-carboxylic acid methyl ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C17H14ClNO2S/c1-10-3-6-12(7-4-10)22-16-13-9-11(18)5-8-14(13)19-15(16)17(20)21-2/h3-9,19H,1-2H3