[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H24ClNO3S/c1-25(2,3)18-10-8-17(9-11-18)24(29)30-16-23(28)27-21-6-4-5-7-22(21)31-20-14-12-19(26)13-15-20/h4-15H,16H2,1-3H3,(H,27,28)