1,3-benzodioxol-5-yl 2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-chlorophenyl)sulfanylpropanoate CAS Name: 2-[(4-chlorophenyl)thio]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 2-[(4-chlorophenyl)thio]propionic acid 1,3-benzodioxol-5-yl ester Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)OC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClO4S/c1-10(22-13-5-2-11(17)3-6-13)16(18)21-12-4-7-14-15(8-12)20-9-19-14/h2-8,10H,9H2,1H3