4-(5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-6-yl)butanoic acid

Systemtic Name: 4-(5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-6-yl)butanoic acid Openeye Name: 4-(5-benzyloxycarbonyl-2-thioxo-3,4-dihydro-1H-pyrimidin-6-yl)butanoic acid CAS Name: 4-(5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-6-yl)butanoic acid IUPAC Name: 4-(5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-6-yl)butanoic acid Traditional Name: 4-(5-carbobenzoxy-2-thioxo-3,4-dihydro-1H-pyrimidin-6-yl)butyric acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC(=S)N1)CCCC(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(=C(NC(=S)N1)CCCC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c19-14(20)8-4-7-13-12(9-17-16(23)18-13)15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,19,20)(H2,17,18,23)