3-[4-ethylsulfanyl-5-[[2-methyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indol-3-yl]propyl methanesulfonate

Systemtic Name: 3-[4-ethylsulfanyl-5-[[2-methyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-1H-indol-3-yl]propyl methanesulfonate Openeye Name: 3-[4-ethylsulfanyl-5-[(2-methyl-3,4-dioxo-cyclobuten-1-yl)amino]-1H-indol-3-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-(ethylthio)-5-[(2-methyl-3,4-dioxo-1-cyclobutenyl)amino]-1H-indol-3-yl]propyl ester IUPAC Name: 3-[4-ethylsulfanyl-5-[(2-methyl-3,4-dioxocyclobuten-1-yl)amino]-1H-indol-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[5-[(3,4-diketo-2-methyl-cyclobuten-1-yl)amino]-4-(ethylthio)-1H-indol-3-yl]propyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC2=C1C(=CN2)CCCOS(=O)(=O)C)NC3=C(C(=O)C3=O)C

Isomeric SMILES

CCSC1=C(C=CC2=C1C(=CN2)CCCOS(=O)(=O)C)NC3=C(C(=O)C3=O)C

InChI

InChI=1S/C19H22N2O5S2/c1-4-27-19-14(21-16-11(2)17(22)18(16)23)8-7-13-15(19)12(10-20-13)6-5-9-26-28(3,24)25/h7-8,10,20-21H,4-6,9H2,1-3H3