methyl 4-[2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]ethyl]benzoic acid methyl ester Formula: C17H18ClNO3S2 MolecularWeight: 383.91272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CSCC2=CC=C(S2)Cl

InChI

InChI=1S/C17H18ClNO3S2/c1-22-17(21)13-4-2-12(3-5-13)8-9-19-16(20)11-23-10-14-6-7-15(18)24-14/h2-7H,8-11H2,1H3,(H,19,20)