4-[[(2R)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoic acid

Systemtic Name: 4-[[(2R)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoic acid Openeye Name: 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoic acid CAS Name: 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoic acid Traditional Name: 4-[[(2R)-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=CC(=O)N2)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=CC(=O)N2)OC

InChI

InChI=1S/C15H15N3O5S/c1-8(24-15-17-11(19)7-12(18-15)23-2)13(20)16-10-5-3-9(4-6-10)14(21)22/h3-8H,1-2H3,(H,16,20)(H,21,22)(H,17,18,19)/t8-/m1/s1