[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C24H24BrNO3S MolecularWeight: 486.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C24H24BrNO3S/c1-24(2,3)17-9-11-18(12-10-17)26-21(27)14-29-22(28)15-30-20-13-8-16-6-4-5-7-19(16)23(20)25/h4-13H,14-15H2,1-3H3,(H,26,27)