ethyl 2-[4-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]butanoate

Systemtic Name: ethyl 2-[4-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]butanoate Openeye Name: ethyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoate CAS Name: 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoate Traditional Name: 2-[4-(3-keto-1,2-benzothiazol-2-yl)phenyl]butyric acid ethyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C19H19NO3S/c1-3-15(19(22)23-4-2)13-9-11-14(12-10-13)20-18(21)16-7-5-6-8-17(16)24-20/h5-12,15H,3-4H2,1-2H3