(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-17(2,3)12(20)9-23-13(21)8-19-16(22)15-14(18)10-6-4-5-7-11(10)24-15/h4-7H,8-9H2,1-3H3,(H,19,22)