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

Systemtic Name: butan-2-yl 4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: sec-butyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid sec-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-3-11(2)24-16(23)12-4-6-13(7-5-12)19-15(22)10-25-17-18-9-8-14(21)20-17/h4-9,11H,3,10H2,1-2H3,(H,19,22)(H,18,20,21)