3-methyl-6-(3-methylphenyl)carbonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one

Systemtic Name: 3-methyl-6-(3-methylphenyl)carbonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Openeye Name: 3-methyl-6-(3-methylbenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one CAS Name: 3-methyl-6-[(3-methylphenyl)-oxomethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one IUPAC Name: 3-methyl-6-(3-methylbenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Traditional Name: 3-methyl-6-m-toluoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2CCC3C(C2)SC(=O)N3C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2CCC3C(C2)SC(=O)N3C

InChI

InChI=1S/C16H19NO2S/c1-10-4-3-5-11(8-10)15(18)12-6-7-13-14(9-12)20-16(19)17(13)2/h3-5,8,12-14H,6-7,9H2,1-2H3