methyl 2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-6-11(2)16(17(20)21-5)18-15(19)10-22-14-8-7-12(3)13(4)9-14/h7-9,11,16H,6,10H2,1-5H3,(H,18,19)