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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-(phenylmethyl) butanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-benzyl butanedioate CAS Name: butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-(phenylmethyl) ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-benzyl butanedioate Traditional Name: succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-benzyl ester Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4S2/c20-16(22-12-13-6-2-1-3-7-13)10-11-17(21)23-25-18-19-14-8-4-5-9-15(14)24-18/h1-9H,10-12H2