1,3-benzothiazol-2-ylmethyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N2O3S/c19-15-8-2-1-5-9-18(15)10-16(20)21-11-14-17-12-6-3-4-7-13(12)22-14/h3-4,6-7H,1-2,5,8-11H2