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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(2-cyanoanilino)-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-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-12(20(27)25-15-8-4-2-6-13(15)10-23)29-17(26)11-24-21(28)19-18(22)14-7-3-5-9-16(14)30-19/h2-9,12H,11H2,1H3,(H,24,28)(H,25,27)