4-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate

Systemtic Name: 4-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate Openeye Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[(5-chloro-1,3-benzoxazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[(5-chloro-1,3-benzoxazol-2-yl)thio]but-2-ynyl ester Formula: C19H14ClNO3S MolecularWeight: 371.83736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H14ClNO3S/c1-13-4-6-14(7-5-13)18(22)23-10-2-3-11-25-19-21-16-12-15(20)8-9-17(16)24-19/h4-9,12H,10-11H2,1H3