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

Systemtic Name: butan-2-yl 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C

InChI

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