butyl 2-[2-[2-sulfanylpropanoyl(thiophen-2-ylcarbonyl)amino]ethanoyloxy]benzoate

Systemtic Name: butyl 2-[2-[2-sulfanylpropanoyl(thiophen-2-ylcarbonyl)amino]ethanoyloxy]benzoate Openeye Name: butyl 2-[2-[2-sulfanylpropanoyl(thiophene-2-carbonyl)amino]acetyl]oxybenzoate CAS Name: 2-[2-[(2-mercapto-1-oxopropyl)-[oxo(thiophen-2-yl)methyl]amino]-1-oxoethoxy]benzoic acid butyl ester IUPAC Name: butyl 2-[2-[2-sulfanylpropanoyl(thiophene-2-carbonyl)amino]acetyl]oxybenzoate Traditional Name: 2-[2-[2-mercaptopropanoyl(2-thenoyl)amino]acetyl]oxybenzoic acid butyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1OC(=O)CN(C(=O)C2=CC=CS2)C(=O)C(C)S

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1OC(=O)CN(C(=O)C2=CC=CS2)C(=O)C(C)S

InChI

InChI=1S/C21H23NO6S2/c1-3-4-11-27-21(26)15-8-5-6-9-16(15)28-18(23)13-22(19(24)14(2)29)20(25)17-10-7-12-30-17/h5-10,12,14,29H,3-4,11,13H2,1-2H3