4-[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-yl]butanoic acid

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-yl]butanoic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-chromen-2-yl]butanoic acid CAS Name: 4-[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-2-yl]butanoic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propylchromen-2-yl]butanoic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-6-propyl-chromen-2-yl]butyric acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C23H21NO5S/c1-2-6-13-11-14-18(12-16(13)25)29-17(8-5-10-20(26)27)21(22(14)28)23-24-15-7-3-4-9-19(15)30-23/h3-4,7,9,11-12,25H,2,5-6,8,10H2,1H3,(H,26,27)