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

Systemtic Name: ethyl 2-[[4-[[2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-5-ylidene]methylamino]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)methylamino]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methylamino]phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-[(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)methylamino]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H26N4O6S MolecularWeight: 558.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)NC=C4C(=O)NC(=O)N(C4=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)NC=C4C(=O)NC(=O)N(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O6S/c1-2-39-28(37)23-20-10-6-7-11-22(20)40-26(23)31-24(34)17-12-14-18(15-13-17)30-16-21-25(35)32-29(38)33(27(21)36)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,2,6-7,10-11H2,1H3,(H,31,34)(H,32,35,38)