(4-aminocarbonyl-2-nitro-phenyl)methyl 2-phenylazanylthieno[2,3-d][1,3]thiazole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-phenylazanylthieno[2,3-d][1,3]thiazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-anilinothieno[2,3-d]thiazole-5-carboxylate CAS Name: 2-anilino-5-thieno[2,3-d]thiazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate Traditional Name: 2-anilinothieno[2,3-d]thiazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H14N4O5S2 MolecularWeight: 454.47896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(S3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(S3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S2/c21-17(25)11-6-7-12(14(8-11)24(27)28)10-29-19(26)16-9-15-18(30-16)23-20(31-15)22-13-4-2-1-3-5-13/h1-9H,10H2,(H2,21,25)(H,22,23)