[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-13-2-4-14(5-3-13)18(22)23-12-17(21)20-10-11-24-16-8-6-15(19)7-9-16/h2-9H,10-12H2,1H3,(H,20,21)