N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C4=CC=CC=C4OC3=O)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C4=CC=CC=C4OC3=O)F

InChI

InChI=1S/C21H17FN4O4S/c1-12(27)23-13-6-7-14(15(22)10-13)16-11-31-20(24-16)25-19(28)8-9-26-17-4-2-3-5-18(17)30-21(26)29/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,25,28)