(2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: (2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-nitrophenyl)-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: (2S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C24H17N3O5S2 MolecularWeight: 491.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3[C@H](C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C24H17N3O5S2/c1-12-9-13(2)19-17(10-12)34-24(25-19)26-20(14-5-3-6-15(11-14)27(31)32)18(22(29)23(26)30)21(28)16-7-4-8-33-16/h3-11,20,29H,1-2H3/t20-/m0/s1