tert-butyl 4-methoxy-2-methylsulfanylcarbonyl-5-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylate

Systemtic Name: tert-butyl 4-methoxy-2-methylsulfanylcarbonyl-5-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylate Openeye Name: tert-butyl 5-hydroxy-4-methoxy-2-methylsulfanylcarbonyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylate CAS Name: 5-hydroxy-4-methoxy-2-[(methylthio)-oxomethyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-4-methoxy-2-methylsulfanylcarbonyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylate Traditional Name: 5-hydroxy-4-methoxy-2-(methylthio)carbonyl-7,8-dihydro-3H-pyrrol[3,2-e]indole-6-carboxylic acid tert-butyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C3C=C(NC3=C(C(=C21)O)OC)C(=O)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C3C=C(NC3=C(C(=C21)O)OC)C(=O)SC

InChI

InChI=1S/C18H22N2O5S/c1-18(2,3)25-17(23)20-7-6-9-10-8-11(16(22)26-5)19-12(10)15(24-4)14(21)13(9)20/h8,19,21H,6-7H2,1-5H3