5-[2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]acetyl]amino]-2-chloro-benzoic acid Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H15ClN4O5S/c1-2-26-15(25)10-6-19-16(21-13(10)18)27-7-12(22)20-8-3-4-11(17)9(5-8)14(23)24/h3-6H,2,7H2,1H3,(H,20,22)(H,23,24)(H2,18,19,21)