(5-ethanoyl-2-methoxy-phenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5S/c1-12(24)13-7-8-16(27-2)14(9-13)11-28-18(25)10-23-21(26)20-19(22)15-5-3-4-6-17(15)29-20/h3-9H,10-11H2,1-2H3,(H,23,26)