methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC(CC(=O)OC)C2=CC=CS2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC(CC(=O)OC)C2=CC=CS2)Br

InChI

InChI=1S/C18H20BrNO4S/c1-23-15-7-5-12(10-13(15)19)6-8-17(21)20-14(11-18(22)24-2)16-4-3-9-25-16/h3-5,7,9-10,14H,6,8,11H2,1-2H3,(H,20,21)