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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2O2S2/c21-18(10-9-16-19-12-5-1-3-7-14(12)23-16)22-11-17-20-13-6-2-4-8-15(13)24-17/h1-8H,9-11H2