methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO3S/c1-4-10(2)14(15(19)20-3)17-13(18)9-21-12-7-5-11(16)6-8-12/h5-8,10,14H,4,9H2,1-3H3,(H,17,18)