2-[3-(2,3-dimethylindol-1-yl)-2-oxidanyl-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[3-(2,3-dimethylindol-1-yl)-2-oxidanyl-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[3-(2,3-dimethyl-1-indolyl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[3-(2,3-dimethylindol-1-yl)-2-hydroxy-propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C

InChI

InChI=1S/C20H20N2O4S/c1-13-14(2)21(18-9-5-3-7-16(13)18)11-15(23)12-22-20(24)17-8-4-6-10-19(17)27(22,25)26/h3-10,15,23H,11-12H2,1-2H3