[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-14-11-15(7-8-17(14)22)24-19(25)12-29-21(27)16-5-3-4-6-18(16)30-13-20(26)23-9-10-28-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,26)(H,24,25)