2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H22N2O4S/c1-16-14-20(17(2)24(16)13-12-18-8-4-3-5-9-18)21(26)15-25-23(27)19-10-6-7-11-22(19)30(25,28)29/h3-11,14H,12-13,15H2,1-2H3