[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(4-bromo-8-chloro-1-naphthalenyl)thio]acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(4-bromo-8-chloro-1-naphthyl)thio]acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C24H23BrClNO3S MolecularWeight: 520.86632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

InChI

InChI=1S/C24H23BrClNO3S/c1-3-15-7-5-8-16(4-2)24(15)27-21(28)13-30-22(29)14-31-20-12-11-18(25)17-9-6-10-19(26)23(17)20/h5-12H,3-4,13-14H2,1-2H3,(H,27,28)