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

Systemtic Name: ethyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-1-oxopropyl]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)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=CC(=NC3=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=CC(=NC3=O)C)C

InChI

InChI=1S/C20H25N3O4S/c1-5-27-19(25)16-14-8-6-7-9-15(14)28-18(16)22-17(24)13(4)23-12(3)10-11(2)21-20(23)26/h10,13H,5-9H2,1-4H3,(H,22,24)