ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-(methylthio)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-(methylthio)thiophene-2-carboxylic acid ethyl ester Formula: C15H15N3O2S2 MolecularWeight: 333.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C2=NC3=CC=CC=C3N2)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C15H15N3O2S2/c1-3-20-14(19)12-11(16)10(15(21-2)22-12)13-17-8-6-4-5-7-9(8)18-13/h4-7H,3,16H2,1-2H3,(H,17,18)