[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)C3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)C3CCCC3

InChI

InChI=1S/C22H25NO3S/c1-15-7-8-16(2)20(13-15)27-19-11-9-18(10-12-19)23-21(24)14-26-22(25)17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,23,24)