[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-3-10(2)20-13(21)9-24-14(22)8-19-17(23)16-15(18)11-6-4-5-7-12(11)25-16/h4-7,10H,3,8-9H2,1-2H3,(H,19,23)(H,20,21)