[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C22H26N2O4S/c1-4-24(5-2)22(27)17-10-8-11-18(13-17)23-20(25)14-28-21(26)15-29-19-12-7-6-9-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)