ethyl 2-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC(=CC(=O)N4)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC(=CC(=O)N4)O

InChI

InChI=1S/C24H25N3O5S2/c1-2-32-23(31)21-16-9-8-15(14-6-4-3-5-7-14)12-17(16)34-22(21)25-18(28)10-11-33-24-26-19(29)13-20(30)27-24/h3-7,13,15H,2,8-12H2,1H3,(H,25,28)(H2,26,27,29,30)