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

Systemtic Name: ethyl 4-[[(2S)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-4-25-16(23)11-5-7-12(8-6-11)18-15(22)10(2)26-17-19-13(21)9-14(20-17)24-3/h5-10H,4H2,1-3H3,(H,18,22)(H,19,20,21)/t10-/m0/s1