ethyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-5-(2-phenylethanoyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-5-(2-phenylethanoyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-5-(2-phenylacetyl)-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-6-methyl-5-(1-oxo-2-phenylethyl)-4-(2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-5-(2-phenylacetyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(amidinothio)methyl]-6-methyl-5-(2-phenylacetyl)-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C(=O)CC3=CC=CC=C3)C)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C(=O)CC3=CC=CC=C3)C)CSC(=N)N

InChI

InChI=1S/C24H26N4O3S/c1-3-31-23(30)22-18(14-32-24(25)26)28-15(2)20(21(22)17-11-7-8-12-27-17)19(29)13-16-9-5-4-6-10-16/h4-12,21,28H,3,13-14H2,1-2H3,(H3,25,26)