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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4S/c1-2-3-4-7-10-21-15(23)12-26-16(24)11-22-19(25)18-17(20)13-8-5-6-9-14(13)27-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,21,23)(H,22,25)