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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methoxybenzoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester Formula: C19H15NO3S2 MolecularWeight: 369.4573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H15NO3S2/c1-22-15-10-8-14(9-11-15)18(21)23-12-4-5-13-24-19-20-16-6-2-3-7-17(16)25-19/h2-3,6-11H,12-13H2,1H3