(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C18H19N4O2S2+ MolecularWeight: 387.49906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O2S2/c1-3-24-18(23)16-12(11(8-19)17(20)26-16)9-22(2)10-15-21-13-6-4-5-7-14(13)25-15/h4-7H,3,9-10,20H2,1-2H3/p+1