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

Systemtic Name: ethyl (5E)-5-[(Z)-3-azanyl-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enylidene]-2-methyl-4-oxidanylidene-thiophene-3-carboxylate hydrochloride Openeye Name: ethyl (5E)-5-[(Z)-3-amino-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enylidene]-2-methyl-4-oxo-thiophene-3-carboxylate hydrochloride CAS Name: (5E)-5-[(Z)-3-amino-2-cyano-3-(4-phenyl-1-piperazinyl)prop-2-enylidene]-2-methyl-4-oxo-3-thiophenecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl (5E)-5-[(Z)-3-amino-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enylidene]-2-methyl-4-oxothiophene-3-carboxylate hydrochloride Traditional Name: (5E)-5-[(Z)-3-amino-2-cyano-3-(4-phenylpiperazino)prop-2-enylidene]-4-keto-2-methyl-thiophene-3-carboxylic acid ethyl ester hydrochloride Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC(=C(N)N2CCN(CC2)C3=CC=CC=C3)C#N)C1=O)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C/C(=C(\N)/N2CCN(CC2)C3=CC=CC=C3)/C#N)/C1=O)C.Cl

InChI

InChI=1S/C22H24N4O3S.ClH/c1-3-29-22(28)19-15(2)30-18(20(19)27)13-16(14-23)21(24)26-11-9-25(10-12-26)17-7-5-4-6-8-17;/h4-8,13H,3,9-12,24H2,1-2H3;1H/b18-13+,21-16-;