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methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate

methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate

Systemtic Name:methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate
Openeye Name:methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate
CAS Name:9-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]nonanoic acid methyl ester
IUPAC Name:methyl 9-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]nonanoate
Traditional Name:9-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pelargonic acid methyl ester
Formula: C19H27NO3S2
MolecularWeight: 381.55258
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCCCCCCCC(=O)OC


Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCCCCCCCC(=O)OC


InChI

InChI=1S/C19H27NO3S2/c1-3-23-15-11-12-16-17(14-15)25-19(20-16)24-13-9-7-5-4-6-8-10-18(21)22-2/h11-12,14H,3-10,13H2,1-2H3


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