methyl 2,4-bis(chloranyl)-6-[ethanethioyl(3-thiophen-2-ylpropyl)amino]benzoate

Systemtic Name: methyl 2,4-bis(chloranyl)-6-[ethanethioyl(3-thiophen-2-ylpropyl)amino]benzoate Openeye Name: methyl 2,4-dichloro-6-[ethanethioyl-[3-(2-thienyl)propyl]amino]benzoate CAS Name: 2,4-dichloro-6-[1-sulfanylideneethyl(3-thiophen-2-ylpropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-dichloro-6-[ethanethioyl(3-thiophen-2-ylpropyl)amino]benzoate Traditional Name: 2,4-dichloro-6-[3-(2-thienyl)propyl-thioacetyl-amino]benzoic acid methyl ester Formula: C17H17Cl2NO2S2 MolecularWeight: 402.35838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(CCCC1=CC=CS1)C2=CC(=CC(=C2C(=O)OC)Cl)Cl

Isomeric SMILES

CC(=S)N(CCCC1=CC=CS1)C2=CC(=CC(=C2C(=O)OC)Cl)Cl

InChI

InChI=1S/C17H17Cl2NO2S2/c1-11(23)20(7-3-5-13-6-4-8-24-13)15-10-12(18)9-14(19)16(15)17(21)22-2/h4,6,8-10H,3,5,7H2,1-2H3