(phenylmethyl) 5-oxidanylidene-4-(3-oxidanylidene-1,2-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)amino]pentanoate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-4-(3-oxidanylidene-1,2-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)amino]pentanoate Openeye Name: benzyl 5-oxo-4-(3-oxo-1,2-benzothiazol-2-yl)-5-(4-phenoxyanilino)pentanoate CAS Name: 5-oxo-4-(3-oxo-1,2-benzothiazol-2-yl)-5-(4-phenoxyanilino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-4-(3-oxo-1,2-benzothiazol-2-yl)-5-(4-phenoxyanilino)pentanoate Traditional Name: 5-keto-4-(3-keto-1,2-benzothiazol-2-yl)-5-(4-phenoxyanilino)valeric acid benzyl ester Formula: C31H26N2O5S MolecularWeight: 538.61354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5S4

InChI

InChI=1S/C31H26N2O5S/c34-29(37-21-22-9-3-1-4-10-22)20-19-27(33-31(36)26-13-7-8-14-28(26)39-33)30(35)32-23-15-17-25(18-16-23)38-24-11-5-2-6-12-24/h1-18,27H,19-21H2,(H,32,35)