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

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylethanoate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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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)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)CC3=CC=CS3

InChI

InChI=1S/C22H21NO3S2/c1-15-5-6-16(2)20(12-15)28-18-9-7-17(8-10-18)23-21(24)14-26-22(25)13-19-4-3-11-27-19/h3-12H,13-14H2,1-2H3,(H,23,24)