methyl 2-(4-azanyl-3-iodanyl-phenyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-azanyl-3-iodanyl-phenyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-amino-3-iodo-phenyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(4-amino-3-iodophenyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-amino-3-iodophenyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-amino-3-iodo-phenyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H11IN2O2S MolecularWeight: 410.22951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)I

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)I

InChI

InChI=1S/C15H11IN2O2S/c1-20-15(19)9-3-5-12-13(7-9)21-14(18-12)8-2-4-11(17)10(16)6-8/h2-7H,17H2,1H3