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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (7-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-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 (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO4S/c1-13-6-7-15-14(11-21(24)26-17(15)10-13)12-25-20(23)9-8-19-22-16-4-2-3-5-18(16)27-19/h2-11H,12H2,1H3/b9-8+