1,3-benzothiazol-2-ylmethyl 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S2/c24-21(27-14-20-23-18-7-3-4-8-19(18)28-20)11-12-22-29(25,26)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,22H,11-12,14H2