ethyl 4-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N4O4S+ MolecularWeight: 355.43252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C15H22N4O4S/c1-3-23-15(22)19-7-5-18(6-8-19)10(2)13(21)17-14-11(12(16)20)4-9-24-14/h4,9-10H,3,5-8H2,1-2H3,(H2,16,20)(H,17,21)/p+1/t10-/m1/s1