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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC)OCC

InChI

InChI=1S/C22H26N2O6S/c1-4-28-18-10-9-15(11-19(18)29-5-2)22(27)23-13-21(26)30-14-20(25)24-16-7-6-8-17(12-16)31-3/h6-12H,4-5,13-14H2,1-3H3,(H,23,27)(H,24,25)