methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-ethanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-ethanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-morpholin-4-iumyl)-1-oxo-2-phenylethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)[C@H](C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H24N2O4S/c1-26-21(25)17-15-8-5-9-16(15)28-20(17)22-19(24)18(14-6-3-2-4-7-14)23-10-12-27-13-11-23/h2-4,6-7,18H,5,8-13H2,1H3,(H,22,24)/p+1/t18-/m0/s1