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

Systemtic Name: [1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-4-16(29-20(26)14-6-5-9-22-11-14)19(25)24-21-23-15(12-30-21)13-7-8-17(27-2)18(10-13)28-3/h5-12,16H,4H2,1-3H3,(H,23,24,25)