[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C24H29NO4S/c1-4-5-6-7-23(27)25-20-11-9-19(10-12-20)22(26)15-29-24(28)16-30-21-13-8-17(2)18(3)14-21/h8-14H,4-7,15-16H2,1-3H3,(H,25,27)