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

Systemtic Name: ethyl 2-[2-(2-chloranyl-4-nitro-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-chloro-4-nitro-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-chloro-4-nitrophenoxy)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-chloro-4-nitrophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-chloro-4-nitro-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-4-29-21(26)18-14-7-5-11(2)9-17(14)31-20(18)23-19(25)12(3)30-16-8-6-13(24(27)28)10-15(16)22/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,25)