[2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-24(5-2)18-9-7-17(8-10-18)23-20(25)13-27-21(26)14-28-19-11-6-16(22)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)