3-(4-ethoxyphenyl)sulfanyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione

Systemtic Name: 3-(4-ethoxyphenyl)sulfanyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione Openeye Name: 3-(4-ethoxyphenyl)sulfanyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione CAS Name: 3-[(4-ethoxyphenyl)thio]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione IUPAC Name: 3-(4-ethoxyphenyl)sulfanyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione Traditional Name: 1-(5-methoxy-1,3-benzothiazol-2-yl)-3-(p-phenetylthio)pyrrolidine-2,5-quinone Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2CC(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2CC(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C20H18N2O4S2/c1-3-26-12-4-7-14(8-5-12)27-17-11-18(23)22(19(17)24)20-21-15-10-13(25-2)6-9-16(15)28-20/h4-10,17H,3,11H2,1-2H3