methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethoxyphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethoxyphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethoxyphenyl)-hydroxy-methylene]-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(m-phenetyl)methylene]-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C30H26N2O6S MolecularWeight: 542.60224

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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)C(=O)OC)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)C(=O)OC)/O

InChI

InChI=1S/C30H26N2O6S/c1-5-38-21-8-6-7-20(15-21)26(33)23-25(18-9-11-19(12-10-18)29(36)37-4)32(28(35)27(23)34)30-31-24-17(3)13-16(2)14-22(24)39-30/h6-15,25,33H,5H2,1-4H3/b26-23+