[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C21H18ClNO4S/c1-12-7-8-14(13(2)9-12)16(24)11-27-18(25)10-23-21(26)20-19(22)15-5-3-4-6-17(15)28-20/h3-9H,10-11H2,1-2H3,(H,23,26)