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

Systemtic Name: ethyl 2-[2-(2,4-dimethyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,4-dimethyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dimethyl-6-oxo-1-pyrimidinyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6-keto-2,4-dimethyl-pyrimidin-1-yl)acetyl]amino]-6-methyl-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=C1CCC(C2)C)NC(=O)CN3C(=NC(=CC3=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=NC(=CC3=O)C)C

InChI

InChI=1S/C20H25N3O4S/c1-5-27-20(26)18-14-7-6-11(2)8-15(14)28-19(18)22-16(24)10-23-13(4)21-12(3)9-17(23)25/h9,11H,5-8,10H2,1-4H3,(H,22,24)