[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C17H16ClNO5S2 MolecularWeight: 413.89564

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CSCC3=CC=C(S3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CSCC3=CC=C(S3)Cl

InChI

InChI=1S/C17H16ClNO5S2/c18-15-4-2-12(26-15)8-25-9-17(21)22-7-16(20)19-6-11-1-3-13-14(5-11)24-10-23-13/h1-5H,6-10H2,(H,19,20)