(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(1R)-1-(2,4-dichlorophenyl)ethyl]ammonium Formula: C17H18Cl2N3O2S+ MolecularWeight: 399.31472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C(C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+][C@H](C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O2S/c1-3-24-17(23)15-13(12(7-20)16(21)25-15)8-22-9(2)11-5-4-10(18)6-14(11)19/h4-6,9,22H,3,8,21H2,1-2H3/p+1/t9-/m1/s1