methyl 4-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-3-11-8-13(20)19-16(18-11)24-9-14(21)17-12-6-4-10(5-7-12)15(22)23-2/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,19,20)