2-(4-chlorophenyl)sulfanylethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5S/c19-13-2-4-14(5-3-13)26-8-7-23-17(21)10-20-18(22)12-1-6-15-16(9-12)25-11-24-15/h1-6,9H,7-8,10-11H2,(H,20,22)