[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H23NO5S/c1-4-26-21(25)22-19(23)12-27-20(24)17-7-5-6-16(11-17)13-28-18-9-8-14(2)10-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,22,23,25)