N-[[9-(diethylaminomethyl)-10,10-bis(oxidanylidene)phenoxathiin-1-yl]methyl]-N-ethyl-ethanamine

Systemtic Name: N-[[9-(diethylaminomethyl)-10,10-bis(oxidanylidene)phenoxathiin-1-yl]methyl]-N-ethyl-ethanamine Openeye Name: N-[[9-(diethylaminomethyl)-10,10-dioxo-phenoxathiin-1-yl]methyl]-N-ethyl-ethanamine CAS Name: N-[[9-(diethylaminomethyl)-10,10-dioxo-1-phenoxathiinyl]methyl]-N-ethylethanamine IUPAC Name: N-[[9-(diethylaminomethyl)-10,10-dioxophenoxathiin-1-yl]methyl]-N-ethylethanamine Traditional Name: [9-(diethylaminomethyl)-10,10-diketo-phenoxathiin-1-yl]methyl-diethyl-amine Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C2C(=CC=C1)OC3=CC=CC(=C3S2(=O)=O)CN(CC)CC

Isomeric SMILES

CCN(CC)CC1=C2C(=CC=C1)OC3=CC=CC(=C3S2(=O)=O)CN(CC)CC

InChI

InChI=1S/C22H30N2O3S/c1-5-23(6-2)15-17-11-9-13-19-21(17)28(25,26)22-18(16-24(7-3)8-4)12-10-14-20(22)27-19/h9-14H,5-8,15-16H2,1-4H3