3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 1-benzyl-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: 1-benzyl-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-benzyl-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-quinone Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S2/c1-2-25-14-8-9-15-16(10-14)26-20(21-15)27-17-11-18(23)22(19(17)24)12-13-6-4-3-5-7-13/h3-10,17H,2,11-12H2,1H3