methyl 2-[2-(4-nitrophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-nitrophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-nitrophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-nitrophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-nitrophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-11(27-13-9-7-12(8-10-13)21(24)25)17(22)20-18-16(19(23)26-2)14-5-3-4-6-15(14)28-18/h7-11H,3-6H2,1-2H3,(H,20,22)