methyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C16H19N2O4S2+ MolecularWeight: 367.46306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H18N2O4S2/c1-21-16(20)14-11(12-3-2-8-23-12)10-24-15(14)17-13(19)9-18-4-6-22-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)/p+1