2-phenoxyethyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-phenoxyethyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-phenoxyethyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C28H33Cl2N3O4S MolecularWeight: 578.55032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCOC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCOC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H33Cl2N3O4S/c1-38-28-31-24(19-35-15-14-33-12-6-3-7-13-33)25(26(32-28)20-10-11-22(29)23(30)18-20)27(34)37-17-16-36-21-8-4-2-5-9-21/h2,4-5,8-11,18,26H,3,6-7,12-17,19H2,1H3,(H,31,32)