1-(1,3-benzothiazol-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: 1-(1,3-benzothiazol-2-yl)ethyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid 1-(1,3-benzothiazol-2-yl)ethyl ester IUPAC Name: 1-(1,3-benzothiazol-2-yl)ethyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid 1-(1,3-benzothiazol-2-yl)ethyl ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO4S2/c1-11-8-9-13(25(3,21)22)10-14(11)18(20)23-12(2)17-19-15-6-4-5-7-16(15)24-17/h4-10,12H,1-3H3