N-(2-methoxyphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C28H21N3O5S3 MolecularWeight: 575.67844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H21N3O5S3/c1-35-23-11-5-2-8-19(23)30-39(33,34)18-14-15-24-20(16-18)29-28(36-24)37-17-27(32)31-21-9-3-6-12-25(21)38-26-13-7-4-10-22(26)31/h2-16,30H,17H2,1H3