ethyl 5-aminocarbonyl-2-[2-(azocan-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(azocan-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C18H27N3O4S/c1-3-25-18(24)14-12(2)15(16(19)23)26-17(14)20-13(22)11-21-9-7-5-4-6-8-10-21/h3-11H2,1-2H3,(H2,19,23)(H,20,22)/p+1