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

Systemtic Name: ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-(2-oxidanylidenechromen-3-yl)sulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-(2-oxochromen-3-yl)sulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[(2-oxo-1-benzopyran-3-yl)thio]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-(2-oxochromen-3-yl)sulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[(2-ketochromen-3-yl)thio]thiophene-2-carboxylic acid ethyl ester Formula: C23H17N3O4S2 MolecularWeight: 463.52878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC2=CC3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5N4)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC2=CC3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5N4)N

InChI

InChI=1S/C23H17N3O4S2/c1-2-29-22(28)19-18(24)17(20-25-13-8-4-5-9-14(13)26-20)23(32-19)31-16-11-12-7-3-6-10-15(12)30-21(16)27/h3-11H,2,24H2,1H3,(H,25,26)