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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-nitrobenzoate Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S/c21-17(13-6-5-7-14(12-13)20(22)23)24-10-3-4-11-26-18-19-15-8-1-2-9-16(15)25-18/h1-2,5-9,12H,10-11H2