ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[4-(2-pyridyl)piperazino]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=N3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN2CCN(CC2)C3=CC=CC=N3)C(=O)NC)N

InChI

InChI=1S/C19H25N5O3S/c1-3-27-19(26)15-13(16(18(25)21-2)28-17(15)20)12-23-8-10-24(11-9-23)14-6-4-5-7-22-14/h4-7H,3,8-12,20H2,1-2H3,(H,21,25)