aniline; 2-[4-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: aniline; 2-[4-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: aniline; 2-[4-(2-chlorophenyl)thiazol-5-yl]acetate CAS Name: aniline; 2-[4-(2-chlorophenyl)-5-thiazolyl]acetate IUPAC Name: aniline; 2-[4-(2-chlorophenyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-(2-chlorophenyl)thiazol-5-yl]acetate; phenylamine Formula: C17H14ClN2O2S- MolecularWeight: 345.82326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C2=C(SC=N2)CC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C2=C(SC=N2)CC(=O)[O-])Cl

InChI

InChI=1S/C11H8ClNO2S.C6H7N/c12-8-4-2-1-3-7(8)11-9(5-10(14)15)16-6-13-11;7-6-4-2-1-3-5-6/h1-4,6H,5H2,(H,14,15);1-5H,7H2/p-1