2-[2-[[5-ethyl-3-(4-pyrimidin-5-ylphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[5-ethyl-3-(4-pyrimidin-5-ylphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[5-ethyl-3-(4-pyrimidin-5-ylbenzoyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[5-ethyl-3-[oxo-[4-(5-pyrimidinyl)phenyl]methyl]-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[5-ethyl-3-(4-pyrimidin-5-ylbenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[5-ethyl-3-[4-(5-pyrimidyl)benzoyl]-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3

InChI

InChI=1S/C21H19N3O4S2/c1-2-16-7-17(21(30-16)24-18(25)10-29-11-19(26)27)20(28)14-5-3-13(4-6-14)15-8-22-12-23-9-15/h3-9,12H,2,10-11H2,1H3,(H,24,25)(H,26,27)