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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H18N2O4S/c1-14-12-18(15(2)23(14)16-8-4-3-5-9-16)19(24)13-22-21(25)17-10-6-7-11-20(17)28(22,26)27/h3-12H,13H2,1-2H3