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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl butanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl butanedioate CAS Name: butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-phenyl butanedioate Traditional Name: succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester Formula: C17H13NO4S2 MolecularWeight: 359.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCC(=O)OSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCC(=O)OSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO4S2/c19-15(21-12-6-2-1-3-7-12)10-11-16(20)22-24-17-18-13-8-4-5-9-14(13)23-17/h1-9H,10-11H2