1,3-benzothiazol-2-ylmethyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

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