methyl 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-hydroxypropanoate Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCCC1=CC=C(S1)Br

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCCC1=CC=C(S1)Br

InChI

InChI=1S/C12H16BrNO4S/c1-18-12(17)9(7-15)14-11(16)4-2-3-8-5-6-10(13)19-8/h5-6,9,15H,2-4,7H2,1H3,(H,14,16)