(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(R)-(4-methylphenyl)-phenyl-methyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(R)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(R)-phenyl(p-tolyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(R)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(R)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(R)-phenyl(p-tolyl)methyl]ammonium Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C(C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+][C@H](C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O2S/c1-3-28-23(27)21-19(18(13-24)22(25)29-21)14-26-20(16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-12,20,26H,3,14,25H2,1-2H3/p+1/t20-/m1/s1