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

Systemtic Name: methyl 2-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(4-acetamidophenyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-5-11(2)16(17(22)23-4)19-15(21)10-24-14-8-6-13(7-9-14)18-12(3)20/h6-9,11,16H,5,10H2,1-4H3,(H,18,20)(H,19,21)