4-[[2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl]thio]acetyl]amino]methyl]benzoate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-9-6-12(19)18-15(17-9)23-8-13(20)16-7-10-2-4-11(5-3-10)14(21)22/h2-5,9H,6-8H2,1H3,(H,16,20)(H,21,22)(H,17,18,19)/p-1/t9-/m0/s1