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

Systemtic Name: methyl 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSCC2=CC=C(S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSCC2=CC=C(S2)Cl)OC

InChI

InChI=1S/C17H18ClNO5S2/c1-22-13-6-11(17(21)24-3)12(7-14(13)23-2)19-16(20)9-25-8-10-4-5-15(18)26-10/h4-7H,8-9H2,1-3H3,(H,19,20)