ethyl 6-ethyl-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N2O6S/c1-4-14-6-8-16-18(11-14)31-21(20(16)22(26)29-5-2)23-19(25)12-30-15-7-9-17(24(27)28)13(3)10-15/h7,9-10,14H,4-6,8,11-12H2,1-3H3,(H,23,25)