(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propan-1-one Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-8-15(10(3)22)9(2)19-16(8)17(23)11(4)26-18-20-13-6-5-12(21(24)25)7-14(13)27-18/h5-7,11,19H,1-4H3/t11-/m0/s1