[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H24BrNO7S2 MolecularWeight: 546.45176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C21H24BrNO7S2/c1-27-15-9-12(10-16(28-2)19(15)29-3)20(25)23-13(7-8-31-4)21(26)30-11-14(24)17-5-6-18(22)32-17/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,25)