ethyl 4-methylbenzenesulfonate; 2-methylsulfanyl-1,3-benzothiazole

Systemtic Name: ethyl 4-methylbenzenesulfonate; 2-methylsulfanyl-1,3-benzothiazole Openeye Name: ethyl 4-methylbenzenesulfonate; 2-methylsulfanyl-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonic acid ethyl ester; 2-(methylthio)-1,3-benzothiazole IUPAC Name: ethyl 4-methylbenzenesulfonate; 2-methylsulfanyl-1,3-benzothiazole Traditional Name: 4-methylbenzenesulfonic acid ethyl ester; 2-(methylthio)-1,3-benzothiazole Formula: C17H19NO3S3 MolecularWeight: 381.53266

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=C(C=C1)C.CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)C.CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C9H12O3S.C8H7NS2/c1-3-12-13(10,11)9-6-4-8(2)5-7-9;1-10-8-9-6-4-2-3-5-7(6)11-8/h4-7H,3H2,1-2H3;2-5H,1H3