dimethyl 5-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H16ClNO5S2 MolecularWeight: 413.89564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(S2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(S2)Cl)C(=O)OC

InChI

InChI=1S/C17H16ClNO5S2/c1-23-16(21)10-5-11(17(22)24-2)7-12(6-10)19-15(20)9-25-8-13-3-4-14(18)26-13/h3-7H,8-9H2,1-2H3,(H,19,20)