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

Systemtic Name: methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H18BrNO3S2 MolecularWeight: 428.36372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C17H18BrNO3S2/c1-11-8-12(18)5-6-14(11)24-10-16(20)19-13(9-17(21)22-2)15-4-3-7-23-15/h3-8,13H,9-10H2,1-2H3,(H,19,20)