2-[1-[(2,4-dichlorophenyl)methyl]-2-oxidanylidene-3-thiophen-2-yl-1,3-diazinan-5-yl]ethanoic acid

Systemtic Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxidanylidene-3-thiophen-2-yl-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-(2-thienyl)hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-thiophen-2-yl-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-thiophen-2-yl-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[1-(2,4-dichlorobenzyl)-2-keto-3-(2-thienyl)hexahydropyrimidin-5-yl]acetic acid Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)N1CC2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3)CC(=O)O

Isomeric SMILES

C1C(CN(C(=O)N1CC2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3)CC(=O)O

InChI

InChI=1S/C17H16Cl2N2O3S/c18-13-4-3-12(14(19)7-13)10-20-8-11(6-16(22)23)9-21(17(20)24)15-2-1-5-25-15/h1-5,7,11H,6,8-10H2,(H,22,23)