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2-[1,3-benzothiazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid

2-[1,3-benzothiazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid

Systemtic Name:2-[1,3-benzothiazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid
Openeye Name:2-[1,3-benzothiazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid
CAS Name:2-[(1,3-benzothiazol-2-ylthio)-(4-carboxyphenyl)methyl]butanedioic acid
IUPAC Name:2-[1,3-benzothiazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid
Traditional Name:2-[(1,3-benzothiazol-2-ylthio)-(4-carboxyphenyl)methyl]succinic acid
Formula: C19H15NO6S2
MolecularWeight: 417.4555
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(C3=CC=C(C=C3)C(=O)O)C(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(C3=CC=C(C=C3)C(=O)O)C(CC(=O)O)C(=O)O


InChI

InChI=1S/C19H15NO6S2/c21-15(22)9-12(18(25)26)16(10-5-7-11(8-6-10)17(23)24)28-19-20-13-3-1-2-4-14(13)27-19/h1-8,12,16H,9H2,(H,21,22)(H,23,24)(H,25,26)


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