[azanyl-[(5-ethanoyl-3-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylsulfanyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[(5-ethanoyl-3-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylsulfanyl]methylidene]azanium chloride Openeye Name: [(5-acetyl-3-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylsulfanyl-amino-methylene]ammonium chloride CAS Name: [[(5-acetyl-3-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylthio]-aminomethylidene]ammonium chloride IUPAC Name: [(5-acetyl-3-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylsulfanyl-aminomethylidene]azanium chloride Traditional Name: [[(5-acetyl-3-carbethoxy-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylthio]-amino-methylene]ammonium chloride Formula: C19H24ClN3O3S MolecularWeight: 409.93016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)C)C)CSC(=[NH2+])N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)C)C)CSC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C19H23N3O3S.ClH/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);1H