2-(1,3-benzoxazol-2-ylcarbonylamino)-4-(5-cyano-1H-indol-2-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylcarbonylamino)-4-(5-cyano-1H-indol-2-yl)thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzoxazole-2-carbonylamino)-4-(5-cyano-1H-indol-2-yl)thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzoxazol-2-yl(oxo)methyl]amino]-4-(5-cyano-1H-indol-2-yl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-benzoxazole-2-carbonylamino)-4-(5-cyano-1H-indol-2-yl)thiophene-3-carboxylic acid Traditional Name: 2-(1,3-benzoxazole-2-carbonylamino)-4-(5-cyano-1H-indol-2-yl)-3-thenoic acid Formula: C22H12N4O4S MolecularWeight: 428.42008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=O)NC3=C(C(=CS3)C4=CC5=C(N4)C=CC(=C5)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C(=O)NC3=C(C(=CS3)C4=CC5=C(N4)C=CC(=C5)C#N)C(=O)O

InChI

InChI=1S/C22H12N4O4S/c23-9-11-5-6-14-12(7-11)8-16(24-14)13-10-31-21(18(13)22(28)29)26-19(27)20-25-15-3-1-2-4-17(15)30-20/h1-8,10,24H,(H,26,27)(H,28,29)