ethyl 2-[[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2,4,6-triketo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-6-4-5-7-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-10-8-13(2)9-11-14/h8-12,24H,3-7H2,1-2H3,(H,25,27,30)