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

Systemtic Name: methyl 2-[2-(4-methoxycarbonyl-2-nitro-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methoxycarbonyl-2-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methoxycarbonyl-2-nitrophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methoxycarbonyl-2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbomethoxy-2-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8S/c1-28-19(24)11-7-8-14(13(9-11)22(26)27)30-10-16(23)21-18-17(20(25)29-2)12-5-3-4-6-15(12)31-18/h7-9H,3-6,10H2,1-2H3,(H,21,23)