ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-[(E)-3-ethoxy-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]sulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-[(E)-3-ethoxy-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]sulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-[(E)-1-ethoxycarbonyl-2-phenyl-vinyl]sulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[[(E)-3-ethoxy-3-oxo-1-phenylprop-1-en-2-yl]thio]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-[(E)-3-ethoxy-3-oxo-1-phenylprop-1-en-2-yl]sulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[[(E)-1-carbethoxy-2-phenyl-vinyl]thio]thiophene-2-carboxylic acid ethyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC(=CC2=CC=CC=C2)C(=O)OCC)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)S/C(=C/C2=CC=CC=C2)/C(=O)OCC)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C25H23N3O4S2/c1-3-31-23(29)18(14-15-10-6-5-7-11-15)33-25-19(20(26)21(34-25)24(30)32-4-2)22-27-16-12-8-9-13-17(16)28-22/h5-14H,3-4,26H2,1-2H3,(H,27,28)/b18-14+