methyl 4-methyl-3-(4-nitrophenyl)-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-3-(4-nitrophenyl)-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-3-(4-nitrophenyl)-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-(4-nitrophenyl)-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-(4-nitrophenyl)-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-3-(4-nitrophenyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O5S/c1-10-14(16(21)25-2)15(11-7-8-26-9-11)18-17(22)19(10)12-3-5-13(6-4-12)20(23)24/h3-9,15H,1-2H3,(H,18,22)