methyl 2-[4-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]propanoate

Systemtic Name: methyl 2-[4-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]propanoate Openeye Name: methyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]propanoate CAS Name: 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(3-keto-1,2-benzothiazol-2-yl)phenyl]propionic acid methyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C17H15NO3S/c1-11(17(20)21-2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)22-18/h3-11H,1-2H3