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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-12-7-9-14(10-8-12)19(25)13(2)27-17(24)11-23-21(26)20-18(22)15-5-3-4-6-16(15)28-20/h3-10,13H,11H2,1-2H3,(H,23,26)/t13-/m0/s1