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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-13(15-8-4-3-5-9-15)25-21(27)14(2)29-18(26)12-24-22(28)20-19(23)16-10-6-7-11-17(16)30-20/h3-11,13-14H,12H2,1-2H3,(H,24,28)(H,25,27)