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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methylbenzoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester Formula: C19H15NO2S2 MolecularWeight: 353.4579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H15NO2S2/c1-14-8-10-15(11-9-14)18(21)22-12-4-5-13-23-19-20-16-6-2-3-7-17(16)24-19/h2-3,6-11H,12-13H2,1H3