[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CN=C(C=C2)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CN=C(C=C2)C

InChI

InChI=1S/C18H21N3O4S/c1-3-21(11-16(22)20-10-15-5-4-8-26-15)17(23)12-25-18(24)14-7-6-13(2)19-9-14/h4-9H,3,10-12H2,1-2H3,(H,20,22)