methyl 4-ethyl-1-methyl-5-phenylmethoxy-3-propan-2-ylsulfanyl-indole-2-carboperoxoate

Systemtic Name: methyl 4-ethyl-1-methyl-5-phenylmethoxy-3-propan-2-ylsulfanyl-indole-2-carboperoxoate Openeye Name: methyl 5-benzyloxy-4-ethyl-3-isopropylsulfanyl-1-methyl-indole-2-carboperoxoate CAS Name: 4-ethyl-1-methyl-5-phenylmethoxy-3-(propan-2-ylthio)-2-indolecarboperoxoic acid methyl ester IUPAC Name: methyl 4-ethyl-1-methyl-5-phenylmethoxy-3-propan-2-ylsulfanylindole-2-carboperoxoate Traditional Name: 5-benzoxy-4-ethyl-3-(isopropylthio)-1-methyl-indole-2-carboperoxoic acid methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=C(N2C)C(=O)OOC)SC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC2=C1C(=C(N2C)C(=O)OOC)SC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO4S/c1-6-17-19(27-14-16-10-8-7-9-11-16)13-12-18-20(17)22(29-15(2)3)21(24(18)4)23(25)28-26-5/h7-13,15H,6,14H2,1-5H3