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

Systemtic Name: ethyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-5-(phenylcarbonyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-benzoyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-benzoyl-2-[(carbamimidoylthio)methyl]-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(amidinothio)methyl]-5-benzoyl-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C)CSC(=N)N

InChI

InChI=1S/C22H23N3O3S2/c1-3-28-21(27)18-15(12-30-22(23)24)25-13(2)17(19(18)16-10-7-11-29-16)20(26)14-8-5-4-6-9-14/h4-11,19,25H,3,12H2,1-2H3,(H3,23,24)