(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=CS2)CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=CS2)CC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O3S2/c21-15(16-6-3-9-24-16)5-2-8-23-17(22)10-14-12-25-18(20-14)13-4-1-7-19-11-13/h1,3-4,6-7,9,11-12H,2,5,8,10H2