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

Systemtic Name: sodium 2-[6-chloranyl-3-(3,3-dimethylbutyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[6-chloro-3-(3,3-dimethylbutyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[6-chloro-3-(3,3-dimethylbutyl)indol-1-yl]thiazole-4-carboxylate Formula: C18H18ClN2NaO2S MolecularWeight: 384.85549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19ClN2O2S.Na/c1-18(2,3)7-6-11-9-21(15-8-12(19)4-5-13(11)15)17-20-14(10-24-17)16(22)23;/h4-5,8-10H,6-7H2,1-3H3,(H,22,23);/q;+1/p-1