2-methyl-2-[(3-methyl-[1]benzothiolo[2,3-e]indol-1-yl)methylamino]propane-1,3-diol

Systemtic Name: 2-methyl-2-[(3-methyl-[1]benzothiolo[2,3-e]indol-1-yl)methylamino]propane-1,3-diol Openeye Name: 2-methyl-2-[(3-methylbenzothiopheno[2,3-e]indol-1-yl)methylamino]propane-1,3-diol CAS Name: 2-methyl-2-[(3-methyl-[1]benzothiolo[2,3-e]indol-1-yl)methylamino]propane-1,3-diol IUPAC Name: 2-methyl-2-[(3-methyl-[1]benzothiolo[2,3-e]indol-1-yl)methylamino]propane-1,3-diol Traditional Name: 2-methyl-2-[(3-methylbenzothiophen[2,3-e]indol-1-yl)methylamino]propane-1,3-diol Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CN(C2=C1C3=C(C=C2)C4=CC=CC=C4S3)C

Isomeric SMILES

CC(CO)(CO)NCC1=CN(C2=C1C3=C(C=C2)C4=CC=CC=C4S3)C

InChI

InChI=1S/C20H22N2O2S/c1-20(11-23,12-24)21-9-13-10-22(2)16-8-7-15-14-5-3-4-6-17(14)25-19(15)18(13)16/h3-8,10,21,23-24H,9,11-12H2,1-2H3