methyl 2-[[2-(phenylmethyl)-4-sulfanylidene-pentanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-(phenylmethyl)-4-sulfanylidene-pentanoyl]amino]ethanoate Openeye Name: methyl 2-[(2-benzyl-4-thioxo-pentanoyl)amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethyl)-4-sulfanylidenepentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-4-sulfanylidenepentanoyl)amino]acetate Traditional Name: 2-[(2-benzyl-4-thioxo-pentanoyl)amino]acetic acid methyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CC(CC1=CC=CC=C1)C(=O)NCC(=O)OC

Isomeric SMILES

CC(=S)CC(CC1=CC=CC=C1)C(=O)NCC(=O)OC

InChI

InChI=1S/C15H19NO3S/c1-11(20)8-13(9-12-6-4-3-5-7-12)15(18)16-10-14(17)19-2/h3-7,13H,8-10H2,1-2H3,(H,16,18)