[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H26N2O5S/c1-3-4-12-28-18-10-8-16(9-11-18)22(27)23-14-21(26)29-15-20(25)24-17-6-5-7-19(13-17)30-2/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,27)(H,24,25)