5-chloranyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidine-4-carboxylate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-5-chloro-4-pyrimidinecarboxylate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-5-chloro-pyrimidine-4-carboxylate Formula: C13H9ClN3O3S- MolecularWeight: 322.74686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O3S/c14-9-6-15-13(17-11(9)12(19)20)21-7-10(18)16-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,18)(H,19,20)/p-1