ethyl 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C22H19N3O6S2/c1-3-31-21(27)13-4-6-16-18(11-13)33-22(24(16)8-9-30-2)23-20(26)19-12-14-10-15(25(28)29)5-7-17(14)32-19/h4-7,10-12H,3,8-9H2,1-2H3