2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H19N3O5S/c1-12-17(19(24)25)18(14-4-3-5-15(10-14)23(26)27)22-20(21-12)29-11-13-6-8-16(28-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,21,22)(H,24,25)