2-methoxyethyl 6-methyl-2-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-methyl-2-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-methyl-2-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-methyl-2-methylsulfanyl-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-(2-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C16H19N3O5S/c1-10-13(15(20)24-9-8-23-2)14(18-16(17-10)25-3)11-6-4-5-7-12(11)19(21)22/h4-7,14H,8-9H2,1-3H3,(H,17,18)