octan-2-yl 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: octan-2-yl 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: 1-methylheptyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid 1-methylheptyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCN1C2=CC=CC=C2SC1=O

Isomeric SMILES

CCCCCCC(C)OC(=O)CCN1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C18H25NO3S/c1-3-4-5-6-9-14(2)22-17(20)12-13-19-15-10-7-8-11-16(15)23-18(19)21/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3