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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-isopropylbenzyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H30N4O2S/c1-4-29-23(28)21-20(19(13-24)22(25)30-21)15-27-11-9-26(10-12-27)14-17-5-7-18(8-6-17)16(2)3/h5-8,16H,4,9-12,14-15,25H2,1-3H3