4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid Openeye Name: 4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid CAS Name: 4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid Traditional Name: 4-butoxy-3-phenyl-1,2-benzothiazole-6-carboxylic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=CC(=C1)C(=O)O)SN=C2C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C2C(=CC(=C1)C(=O)O)SN=C2C3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-2-3-9-22-14-10-13(18(20)21)11-15-16(14)17(19-23-15)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)