2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-6-oxo-pyrimidin-1-yl]-2-(2-thienyl)acetic acid CAS Name: 2-[6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]-2-thiophen-2-ylacetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-6-keto-pyrimidin-1-yl]-2-(2-thienyl)acetic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H15N3O5S/c22-16-13(20-18(25)26-10-12-5-2-1-3-6-12)9-19-11-21(16)15(17(23)24)14-7-4-8-27-14/h1-9,11,15H,10H2,(H,20,25)(H,23,24)