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4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate

4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate

Systemtic Name:4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate
Openeye Name:4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate
CAS Name:2-thiophenecarboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester
IUPAC Name:4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate
Traditional Name:thiophene-2-carboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester
Formula: C16H11NO3S2
MolecularWeight: 329.39344
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=CS3


Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=CS3


InChI

InChI=1S/C16H11NO3S2/c18-15(14-8-5-11-21-14)19-9-3-4-10-22-16-17-12-6-1-2-7-13(12)20-16/h1-2,5-8,11H,9-10H2


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