[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C20H20N2O5S/c1-12(23)14-7-9-15(10-8-14)22-19(25)13(2)27-20(26)16-5-3-4-6-17(16)28-11-18(21)24/h3-10,13H,11H2,1-2H3,(H2,21,24)(H,22,25)