(4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-dimethylaminophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(m-phenetyl)methylene]pyrrolidine-2,3-quinone Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)N(C)C)O

Isomeric SMILES

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)N(C)C)/O

InChI

InChI=1S/C30H29N3O4S/c1-6-37-22-9-7-8-20(16-22)27(34)24-26(19-10-12-21(13-11-19)32(4)5)33(29(36)28(24)35)30-31-25-18(3)14-17(2)15-23(25)38-30/h7-16,26,34H,6H2,1-5H3/b27-24+