propan-2-yl 3-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-13-9-15(22)21-18(20-13)26-10-16(23)19-14-7-5-6-12(8-14)17(24)25-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,19,23)(H,20,21,22)