ethyl 6-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)piperazino]nicotinic acid ethyl ester Formula: C21H33N5O3S MolecularWeight: 435.58342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CCCCC(C(=O)N3CCSC3)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)CCCCC(C(=O)N3CCSC3)N

InChI

InChI=1S/C21H33N5O3S/c1-2-29-21(28)17-6-7-19(23-15-17)25-11-9-24(10-12-25)8-4-3-5-18(22)20(27)26-13-14-30-16-26/h6-7,15,18H,2-5,8-14,16,22H2,1H3