sodium 2-[6-chloranyl-3-(dimethylcarbamoyl)indol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[6-chloranyl-3-(dimethylcarbamoyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[6-chloro-3-(dimethylcarbamoyl)indol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-[dimethylamino(oxo)methyl]-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-chloro-3-(dimethylcarbamoyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[6-chloro-3-(dimethylcarbamoyl)indol-1-yl]thiazole-4-carboxylate Formula: C15H11ClN3NaO3S MolecularWeight: 371.77391

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C(=O)C1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H12ClN3O3S.Na/c1-18(2)13(20)10-6-19(12-5-8(16)3-4-9(10)12)15-17-11(7-23-15)14(21)22;/h3-7H,1-2H3,(H,21,22);/q;+1/p-1