methyl 4-(4-chlorophenyl)-2-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H14ClN3O5S2 MolecularWeight: 451.90386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSC3=NC(=CC(=O)N3)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C18H14ClN3O5S2/c1-27-17(26)15-11(9-2-4-10(19)5-3-9)7-28-16(15)20-14(25)8-29-18-21-12(23)6-13(24)22-18/h2-7H,8H2,1H3,(H,20,25)(H2,21,22,23,24)