2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4H-3,1-benzothiazin-2-ylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4H-3,1-benzothiazin-2-ylthio)ethanone Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C18H18N2O2S2/c1-10-16(12(3)21)11(2)19-17(10)15(22)9-24-18-20-14-7-5-4-6-13(14)8-23-18/h4-7,19H,8-9H2,1-3H3