ethyl 5-azanyl-4-cyano-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2-hydroxyphenyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H22N4O3S/c1-2-26-19(25)17-14(13(11-20)18(21)27-17)12-22-7-9-23(10-8-22)15-5-3-4-6-16(15)24/h3-6,24H,2,7-10,12,21H2,1H3