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

Systemtic Name: 4-[2-[[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N3O4S/c1-8-6-11(18)17-14(15-8)22-7-12(19)16-10-4-2-9(3-5-10)13(20)21/h2-5,8H,6-7H2,1H3,(H,16,19)(H,20,21)(H,15,17,18)/t8-/m0/s1