1,3-benzothiazol-2-ylmethyl 4-propan-2-ylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-propan-2-ylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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