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O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate

O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate

Systemtic Name:O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate
Openeye Name:O4-(1,3-benzothiazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate
CAS Name:2-butylbutanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester
IUPAC Name:4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-methyl 2-butylbutanedioate
Traditional Name:2-butylsuccinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-methyl ester
Formula: C16H19NO4S2
MolecularWeight: 353.45636
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC


Isomeric SMILES

CCCCC(CC(=O)OSC1=NC2=CC=CC=C2S1)C(=O)OC


InChI

InChI=1S/C16H19NO4S2/c1-3-4-7-11(15(19)20-2)10-14(18)21-23-16-17-12-8-5-6-9-13(12)22-16/h5-6,8-9,11H,3-4,7,10H2,1-2H3


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