[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C

InChI

InChI=1S/C21H22N2O5S/c1-14(24)13-29-18-7-5-4-6-17(18)21(27)28-12-19(25)22-16-10-8-15(9-11-16)20(26)23(2)3/h4-11H,12-13H2,1-3H3,(H,22,25)