(2-oxidanylidenecyclohexyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-oxocyclohexyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-ketocyclohexyl) ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H17NO3S/c18-12-6-2-3-7-13(12)20-16(19)10-9-15-17-11-5-1-4-8-14(11)21-15/h1,4-5,8,13H,2-3,6-7,9-10H2