ethyl 4-chloranyl-6-iodanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-6-iodanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 4-chloro-5-hydroxy-6-iodo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 4-chloro-5-hydroxy-6-iodo-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-hydroxy-6-iodo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 4-chloro-5-hydroxy-6-iodo-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C19H17ClINO3S MolecularWeight: 501.76565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)Cl)O)I)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)Cl)O)I)C)CSC3=CC=CC=C3

InChI

InChI=1S/C19H17ClINO3S/c1-3-25-19(24)16-14(10-26-11-7-5-4-6-8-11)22(2)13-9-12(21)18(23)17(20)15(13)16/h4-9,23H,3,10H2,1-2H3