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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester Formula: C16H11NO2S3 MolecularWeight: 345.45904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC=CS3

InChI

InChI=1S/C16H11NO2S3/c18-15(14-8-5-11-20-14)19-9-3-4-10-21-16-17-12-6-1-2-7-13(12)22-16/h1-2,5-8,11H,9-10H2