2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O2S2/c1-14-12-18(15(2)24(14)16-8-10-17(26-3)11-9-16)20(25)13-27-22-23-19-6-4-5-7-21(19)28-22/h4-12H,13H2,1-3H3