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2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-prop-2-enyl-butanedioic acid

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-prop-2-enyl-butanedioic acid

Systemtic Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-prop-2-enyl-butanedioic acid
Openeye Name:2-allyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioic acid
CAS Name:2-[(1,3-benzothiazol-2-ylthio)methyl]-3-prop-2-enylbutanedioic acid
IUPAC Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-prop-2-enylbutanedioic acid
Traditional Name:2-allyl-3-[(1,3-benzothiazol-2-ylthio)methyl]succinic acid
Formula: C15H15NO4S2
MolecularWeight: 337.4139
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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O


Isomeric SMILES

C=CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O


InChI

InChI=1S/C15H15NO4S2/c1-2-5-9(13(17)18)10(14(19)20)8-21-15-16-11-6-3-4-7-12(11)22-15/h2-4,6-7,9-10H,1,5,8H2,(H,17,18)(H,19,20)


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