3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)pyrrolidine-2,5-quinone Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C19H16N2O4S2/c1-24-13-8-7-11(9-14(13)25-2)21-17(22)10-16(18(21)23)27-19-20-12-5-3-4-6-15(12)26-19/h3-9,16H,10H2,1-2H3