[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[[4-(4-ethoxyphenyl)thiazol-2-yl]carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[[4-(4-ethoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[(4-p-phenetylthiazol-2-yl)carbamoyl]propyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OCC)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OCC)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-18(28-20(26)15-6-5-11-22-12-15)19(25)24-21-23-17(13-29-21)14-7-9-16(10-8-14)27-4-2/h5-13,18H,3-4H2,1-2H3,(H,23,24,25)