4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]butanoate

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]butanoate Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-2-yl]butanoate CAS Name: 4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-yl]butanoate IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-2-yl]butanoate Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-2-yl]butyrate Formula: C22H18NO5S- MolecularWeight: 408.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)[O-])C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)[O-])C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H19NO5S/c1-2-12-10-13-17(11-15(12)24)28-16(7-5-9-19(25)26)20(21(13)27)22-23-14-6-3-4-8-18(14)29-22/h3-4,6,8,10-11,24H,2,5,7,9H2,1H3,(H,25,26)/p-1