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

Systemtic Name: ethyl 2-(carbamimidoylsulfanylmethyl)-5-ethanoyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2-[(carbamimidoylthio)methyl]-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(carbamimidoylsulfanylmethyl)-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2-[(amidinothio)methyl]-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-4-23-16(22)14-11(8-25-17(18)19)20-9(2)13(10(3)21)15(14)12-6-5-7-24-12/h5-7,15,20H,4,8H2,1-3H3,(H3,18,19)