ethyl 2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(butylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(butylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-4-6-10-26-18-19-12(3)15(17(22)25-5-2)16(20-18)13-8-7-9-14(11-13)21(23)24/h7-9,11,16H,4-6,10H2,1-3H3,(H,19,20)