methyl 1-methylsulfonyl-3-(phenylmethylsulfanyl)indole-4-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-3-(phenylmethylsulfanyl)indole-4-carboxylate Openeye Name: methyl 3-benzylsulfanyl-1-methylsulfonyl-indole-4-carboxylate CAS Name: 1-methylsulfonyl-3-(phenylmethylthio)-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-1-methylsulfonylindole-4-carboxylate Traditional Name: 3-(benzylthio)-1-mesyl-indole-4-carboxylic acid methyl ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2SCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2SCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17NO4S2/c1-23-18(20)14-9-6-10-15-17(14)16(11-19(15)25(2,21)22)24-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3