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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester Formula: C20H13NO3S2 MolecularWeight: 379.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H13NO3S2/c22-19(17-13-14-7-1-3-9-16(14)24-17)23-11-5-6-12-25-20-21-15-8-2-4-10-18(15)26-20/h1-4,7-10,13H,11-12H2