[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H26ClNO3S/c1-22(2,3)16-6-10-18(11-7-16)24-20(25)15-27-21(26)5-4-14-28-19-12-8-17(23)9-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,24,25)