(3-chloranyl-1-benzothiophen-2-yl)methyl 3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)CCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)CCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-9-10(16(22)20-17(23)19-9)6-7-14(21)24-8-13-15(18)11-4-2-3-5-12(11)25-13/h2-5H,6-8H2,1H3,(H2,19,20,22,23)