methyl 3-[[1-butyl-2,4,6-tris(oxidanylidene)-3-phenethyl-1,3-diazinan-5-ylidene]methylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-butyl-2,4,6-tris(oxidanylidene)-3-phenethyl-1,3-diazinan-5-ylidene]methylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-butyl-2,4,6-trioxo-3-phenethyl-hexahydropyrimidin-5-ylidene)methylamino]thiophene-2-carboxylate CAS Name: 3-[(1-butyl-2,4,6-trioxo-3-phenethyl-1,3-diazinan-5-ylidene)methylamino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-butyl-2,4,6-trioxo-3-phenethyl-1,3-diazinan-5-ylidene)methylamino]thiophene-2-carboxylate Traditional Name: 3-[(1-butyl-2,4,6-triketo-3-phenethyl-hexahydropyrimidin-5-ylidene)methylamino]thiophene-2-carboxylic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=C(SC=C2)C(=O)OC)C(=O)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C(=CNC2=C(SC=C2)C(=O)OC)C(=O)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O5S/c1-3-4-12-25-20(27)17(15-24-18-11-14-32-19(18)22(29)31-2)21(28)26(23(25)30)13-10-16-8-6-5-7-9-16/h5-9,11,14-15,24H,3-4,10,12-13H2,1-2H3