O4-(1,3-benzothiazol-2-ylsulfanyl) O1-(phenylmethyl) 2-(phenylmethyl)butanedioate

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-(phenylmethyl) 2-(phenylmethyl)butanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-benzyl 2-benzylbutanedioate CAS Name: 2-(phenylmethyl)butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-(phenylmethyl) ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-benzyl 2-benzylbutanedioate Traditional Name: 2-benzylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-benzyl ester Formula: C25H21NO4S2 MolecularWeight: 463.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)OSC2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)OSC2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S2/c27-23(30-32-25-26-21-13-7-8-14-22(21)31-25)16-20(15-18-9-3-1-4-10-18)24(28)29-17-19-11-5-2-6-12-19/h1-14,20H,15-17H2