(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-iodanylbenzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-iodanylbenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C17H13IN2O2S MolecularWeight: 436.26679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C17H13IN2O2S/c18-13-6-4-5-12(9-13)16(21)22-10-15-11-23-17(20-15)19-14-7-2-1-3-8-14/h1-9,11H,10H2,(H,19,20)