methyl 2-[2-(2-nitrophenyl)ethanoylamino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-nitrophenyl)ethanoylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-nitrophenyl)acetyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-nitrophenyl)-1-oxoethyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-nitrophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-nitrophenyl)acetyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O5S/c1-3-6-12-10-13(17(21)24-2)16(25-12)18-15(20)9-11-7-4-5-8-14(11)19(22)23/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,18,20)