[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C19H20N2O5S/c1-2-25-14-9-7-13(8-10-14)19(24)26-11-18(23)21-15-5-3-4-6-16(15)27-12-17(20)22/h3-10H,2,11-12H2,1H3,(H2,20,22)(H,21,23)