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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-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-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H14ClNO5S2 MolecularWeight: 399.86906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO5S2/c17-14-4-2-11(25-14)7-24-8-16(20)21-6-15(19)18-10-1-3-12-13(5-10)23-9-22-12/h1-5H,6-9H2,(H,18,19)