ethyl 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-nitrobenzofurazan-5-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-2-25-17(22)13-9-5-3-4-6-12(9)27-16(13)18-11-8-7-10-14(20-26-19-10)15(11)21(23)24/h7-8,18H,2-6H2,1H3