methyl 3-[2-[2-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H24N3O5S2+ MolecularWeight: 450.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H23N3O5S2/c1-27-20(26)19-15(6-11-29-19)22-18(25)13-30-16-5-3-2-4-14(16)21-17(24)12-23-7-9-28-10-8-23/h2-6,11H,7-10,12-13H2,1H3,(H,21,24)(H,22,25)/p+1