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

Systemtic Name: methyl 2-[[1-butyl-2,4,6-tris(oxidanylidene)-3-prop-2-enyl-1,3-diazinan-5-ylidene]methylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-allyl-3-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]thiophene-3-carboxylate CAS Name: 2-[(1-butyl-2,4,6-trioxo-3-prop-2-enyl-1,3-diazinan-5-ylidene)methylamino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-butyl-2,4,6-trioxo-3-prop-2-enyl-1,3-diazinan-5-ylidene)methylamino]thiophene-3-carboxylate Traditional Name: 2-[(1-allyl-3-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=C(C=CS2)C(=O)OC)C(=O)N(C1=O)CC=C

Isomeric SMILES

CCCCN1C(=O)C(=CNC2=C(C=CS2)C(=O)OC)C(=O)N(C1=O)CC=C

InChI

InChI=1S/C18H21N3O5S/c1-4-6-9-21-16(23)13(15(22)20(8-5-2)18(21)25)11-19-14-12(7-10-27-14)17(24)26-3/h5,7,10-11,19H,2,4,6,8-9H2,1,3H3