ethyl 3-(5-methyl-1-benzothiophen-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(5-methyl-1-benzothiophen-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(5-methylbenzothiophen-2-yl)-4-nitro-butanoate CAS Name: 3-(5-methyl-1-benzothiophen-2-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-methyl-1-benzothiophen-2-yl)-4-nitrobutanoate Traditional Name: 3-(5-methylbenzothiophen-2-yl)-4-nitro-butyric acid ethyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(S1)C=CC(=C2)C

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(S1)C=CC(=C2)C

InChI

InChI=1S/C15H17NO4S/c1-3-20-15(17)8-12(9-16(18)19)14-7-11-6-10(2)4-5-13(11)21-14/h4-7,12H,3,8-9H2,1-2H3