ethyl 3,4-dimethyl-2-[(6-nitro-1-benzothiophen-3-yl)carbonylimino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-[(6-nitro-1-benzothiophen-3-yl)carbonylimino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-(6-nitrobenzothiophene-3-carbonyl)imino-thiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-[(6-nitro-1-benzothiophen-3-yl)-oxomethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-(6-nitro-1-benzothiophene-3-carbonyl)imino-1,3-thiazole-5-carboxylate Traditional Name: 3,4-dimethyl-2-(6-nitrobenzothiophene-3-carbonyl)imino-4-thiazoline-5-carboxylic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2=CSC3=C2C=CC(=C3)[N+](=O)[O-])S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2=CSC3=C2C=CC(=C3)[N+](=O)[O-])S1)C)C

InChI

InChI=1S/C17H15N3O5S2/c1-4-25-16(22)14-9(2)19(3)17(27-14)18-15(21)12-8-26-13-7-10(20(23)24)5-6-11(12)13/h5-8H,4H2,1-3H3