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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3,4-dimethoxybenzoate Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H17NO5S/c1-23-17-10-9-14(13-18(17)24-2)19(22)25-11-5-6-12-27-20-21-15-7-3-4-8-16(15)26-20/h3-4,7-10,13H,11-12H2,1-2H3