2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoate

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoate Openeye Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoate CAS Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]thio]butanoate IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoate Traditional Name: 2-[[3-(4-chlorophenyl)indoxazen-6-yl]thio]butyrate Formula: C17H13ClNO3S- MolecularWeight: 346.80802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)[O-])SC1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO3S/c1-2-15(17(20)21)23-12-7-8-13-14(9-12)22-19-16(13)10-3-5-11(18)6-4-10/h3-9,15H,2H2,1H3,(H,20,21)/p-1