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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H17ClN2O5S/c1-12(25)13-6-2-4-8-15(13)24-17(26)11-29-18(27)10-23-21(28)20-19(22)14-7-3-5-9-16(14)30-20/h2-9H,10-11H2,1H3,(H,23,28)(H,24,26)