1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethylphenyl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H17NO2S/c1-12-7-8-14(9-13(12)2)10-18(20)21-11-17-19-15-5-3-4-6-16(15)22-17/h3-9H,10-11H2,1-2H3