[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-26-17-19-8-11(18)15(21-17)16(23)25-9-14(22)20-12-6-7-24-13-5-3-2-4-10(12)13/h2-5,8,12H,6-7,9H2,1H3,(H,20,22)