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

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-oxo-6-(2-thienyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-6-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-6-(2-thienyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CS3

InChI

InChI=1S/C18H15N3O4S2/c1-25-17(24)11-4-6-12(7-5-11)19-16(23)10-27-18-20-13(9-15(22)21-18)14-3-2-8-26-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)