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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-(phenylmethyl) 2-ethylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-benzyl 2-ethylbutanedioate CAS Name: 2-ethylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-(phenylmethyl) ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-benzyl 2-ethylbutanedioate Traditional Name: 2-ethylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-benzyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S2/c1-2-15(19(23)24-13-14-8-4-3-5-9-14)12-18(22)25-27-20-21-16-10-6-7-11-17(16)26-20/h3-11,15H,2,12-13H2,1H3