ethyl (5E)-5-[(Z)-3-azanyl-2-cyano-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]prop-2-enylidene]-2-methyl-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(Z)-3-azanyl-2-cyano-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]prop-2-enylidene]-2-methyl-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5E)-5-[(Z)-3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]prop-2-enylidene]-2-methyl-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-5-[(Z)-3-amino-2-cyano-3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]prop-2-enylidene]-2-methyl-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(Z)-3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]prop-2-enylidene]-2-methyl-4-oxothiophene-3-carboxylate Traditional Name: (5E)-5-[(Z)-3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]prop-2-enylidene]-4-keto-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC(=C(N)N2CC[NH+](CC2)CCO)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C/C(=C(\N)/N2CC[NH+](CC2)CCO)/C#N)/C1=O)C

InChI

InChI=1S/C18H24N4O4S/c1-3-26-18(25)15-12(2)27-14(16(15)24)10-13(11-19)17(20)22-6-4-21(5-7-22)8-9-23/h10,23H,3-9,20H2,1-2H3/p+1/b14-10+,17-13-