ethyl ethanoate; methylbenzene; N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

Systemtic Name: ethyl ethanoate; methylbenzene; N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide Openeye Name: ethyl acetate; N-(4-methylthiazol-2-yl)methanesulfonamide; toluene CAS Name: acetic acid ethyl ester; N-(4-methyl-2-thiazolyl)methanesulfonamide; toluene IUPAC Name: ethyl acetate; N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide; toluene Traditional Name: acetic acid ethyl ester; N-(4-methylthiazol-2-yl)methanesulfonamide; toluene Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.CC1=CC=CC=C1.CC1=CSC(=N1)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C.CC1=CC=CC=C1.CC1=CSC(=N1)NS(=O)(=O)C

InChI

InChI=1S/C7H8.C5H8N2O2S2.C4H8O2/c1-7-5-3-2-4-6-7;1-4-3-10-5(6-4)7-11(2,8)9;1-3-6-4(2)5/h2-6H,1H3;3H,1-2H3,(H,6,7);3H2,1-2H3