(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H14ClNO4S/c19-12-7-11(8-14-18(12)24-10-23-14)9-22-17(21)6-5-16-20-13-3-1-2-4-15(13)25-16/h1-4,7-8H,5-6,9-10H2