ethyl 4-cyclopropyl-2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(2S)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H26N3O6S+ MolecularWeight: 424.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCNC(=O)[C@@H]3CC(=O)OC

InChI

InChI=1S/C19H25N3O6S/c1-3-28-19(26)16-12(11-4-5-11)10-29-18(16)21-14(23)9-22-7-6-20-17(25)13(22)8-15(24)27-2/h10-11,13H,3-9H2,1-2H3,(H,20,25)(H,21,23)/p+1/t13-/m0/s1