5-chloranyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylate Formula: C15H11ClN3O5S- MolecularWeight: 380.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=C(C(=N3)C(=O)[O-])Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=C(C(=N3)C(=O)[O-])Cl

InChI

InChI=1S/C15H12ClN3O5S/c16-9-6-17-15(19-13(9)14(21)22)25-7-12(20)18-8-1-2-10-11(5-8)24-4-3-23-10/h1-2,5-6H,3-4,7H2,(H,18,20)(H,21,22)/p-1