[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-3-14-8-10-15(11-9-14)25-21(27)13(2)29-18(26)12-24-22(28)20-19(23)16-6-4-5-7-17(16)30-20/h4-11,13H,3,12H2,1-2H3,(H,24,28)(H,25,27)