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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C18H21N3O4S/c1-11(2)9-25-17(24)13-4-6-14(7-5-13)20-16(23)10-26-18-19-12(3)8-15(22)21-18/h4-8,11H,9-10H2,1-3H3,(H,20,23)(H,19,21,22)