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

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-ethyl 2-ethylbutanedioate Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-ethyl 2-ethylbutanedioate CAS Name: 2-ethylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-ethyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-ethyl 2-ethylbutanedioate Traditional Name: 2-ethylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-ethyl ester Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OCC

Isomeric SMILES

CCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OCC

InChI

InChI=1S/C15H17NO4S2/c1-3-10(14(18)19-4-2)9-13(17)20-22-15-16-11-7-5-6-8-12(11)21-15/h5-8,10H,3-4,9H2,1-2H3