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

Systemtic Name: methyl 4-[[(2R)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-9(25-16-18-12(20)8-13(19-16)23-2)14(21)17-11-6-4-10(5-7-11)15(22)24-3/h4-9H,1-3H3,(H,17,21)(H,18,19,20)/t9-/m1/s1