methyl 3-[[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO3S/c1-24-18(23)13-4-2-3-12(7-13)10-25-11-17(22)21-9-14-5-6-15(19)8-16(14)20/h2-8H,9-11H2,1H3,(H,21,22)