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

Systemtic Name: [1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(3-methoxyanilino)-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-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-12(20(26)24-13-6-5-7-14(10-13)28-2)29-17(25)11-23-21(27)19-18(22)15-8-3-4-9-16(15)30-19/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,26)