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

Systemtic Name: ethyl 2-[2-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SC)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SC)C

InChI

InChI=1S/C19H23N3O4S2/c1-4-26-18(25)16-12-7-5-6-8-13(12)28-17(16)21-14(23)10-22-15(24)9-11(2)20-19(22)27-3/h9H,4-8,10H2,1-3H3,(H,21,23)