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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (7-hydroxy-8-methyl-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 (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-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 (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C=CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)/C=C/C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H15NO5S/c1-12-16(23)7-6-14-13(10-20(25)27-21(12)14)11-26-19(24)9-8-18-22-15-4-2-3-5-17(15)28-18/h2-10,23H,11H2,1H3/b9-8+