(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C=CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H17NO5S/c1-2-13-9-15-14(10-22(26)28-18(15)11-17(13)24)12-27-21(25)8-7-20-23-16-5-3-4-6-19(16)29-20/h3-11,24H,2,12H2,1H3/b8-7+