methyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxypropanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxypropanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]oxypropanoate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]oxy]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxypropanoate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl]oxypropionic acid methyl ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)OC)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO5S/c1-11(19(22)24-2)25-13-8-7-12-9-14(20(23)26-16(12)10-13)18-21-15-5-3-4-6-17(15)27-18/h3-11H,1-2H3