2-(2-oxidanylideneethyl)-3-phenylazanyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methoxy]benzoic acid

Systemtic Name: 2-(2-oxidanylideneethyl)-3-phenylazanyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methoxy]benzoic acid Openeye Name: 3-anilino-4-[(3-isopropyl-1,2,4-thiadiazol-5-yl)methoxy]-2-(2-oxoethyl)benzoic acid CAS Name: 3-anilino-2-(2-oxoethyl)-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methoxy]benzoic acid IUPAC Name: 3-anilino-2-(2-oxoethyl)-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methoxy]benzoic acid Traditional Name: 3-anilino-4-[(3-isopropyl-1,2,4-thiadiazol-5-yl)methoxy]-2-(2-ketoethyl)benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NSC(=N1)COC2=C(C(=C(C=C2)C(=O)O)CC=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NSC(=N1)COC2=C(C(=C(C=C2)C(=O)O)CC=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-13(2)20-23-18(29-24-20)12-28-17-9-8-16(21(26)27)15(10-11-25)19(17)22-14-6-4-3-5-7-14/h3-9,11,13,22H,10,12H2,1-2H3,(H,26,27)