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2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid

2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name:2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid
Openeye Name:2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid
CAS Name:2-[[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)thio]methyl]butanedioic acid
IUPAC Name:2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid
Traditional Name:2-[[(6-carbomethoxy-1,3-benzothiazol-2-yl)thio]methyl]succinic acid
Formula: C14H13NO6S2
MolecularWeight: 355.38612
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)SCC(CC(=O)O)C(=O)O


Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)SCC(CC(=O)O)C(=O)O


InChI

InChI=1S/C14H13NO6S2/c1-21-13(20)7-2-3-9-10(4-7)23-14(15-9)22-6-8(12(18)19)5-11(16)17/h2-4,8H,5-6H2,1H3,(H,16,17)(H,18,19)


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