methyl 2-[2-(2-aminophenyl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(2-aminophenyl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(2-aminophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-aminophenyl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(2-aminophenyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC=CC=C1N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC=CC=C1N

InChI

InChI=1S/C15H22N2O3S/c1-4-10(2)14(15(19)20-3)17-13(18)9-21-12-8-6-5-7-11(12)16/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,18)