ethyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C(=CC(=NC3=O)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C(=CC(=NC3=O)C)C

InChI

InChI=1S/C21H27N3O4S/c1-5-15(24-13(4)11-12(3)22-21(24)27)18(25)23-19-17(20(26)28-6-2)14-9-7-8-10-16(14)29-19/h11,15H,5-10H2,1-4H3,(H,23,25)