(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O2S2/c1-9-15(11(3)21)10(2)19-16(9)17(22)12(4)23-18-20-13-7-5-6-8-14(13)24-18/h5-8,12,19H,1-4H3/t12-/m0/s1