ethyl 2-(carbamimidoylsulfanylmethyl)-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(carbamimidoylsulfanylmethyl)-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-[(carbamimidoylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-[(amidinothio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)C)C)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)C)C)CSC(=N)N

InChI

InChI=1S/C19H23N3O3S/c1-4-25-18(24)17-14(10-26-19(20)21)22-11(2)15(12(3)23)16(17)13-8-6-5-7-9-13/h5-9,16,22H,4,10H2,1-3H3,(H3,20,21)