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2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name:2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid
Openeye Name:2-[(7-benzyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid
CAS Name:2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]thio]butanedioic acid
IUPAC Name:2-[(7-benzyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid
Traditional Name:2-[(7-benzyl-1,3-benzothiazol-2-yl)thio]succinic acid
Formula: C18H15NO4S2
MolecularWeight: 373.446
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)SC(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)SC(CC(=O)O)C(=O)O


InChI

InChI=1S/C18H15NO4S2/c20-15(21)10-14(17(22)23)24-18-19-13-8-4-7-12(16(13)25-18)9-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H,20,21)(H,22,23)


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