2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3CC3)C(=C4C(=O)CCCC4=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3CC3)C(=C4C(=O)CCCC4=O)O

InChI

InChI=1S/C18H17NO3S/c1-9-11(17(22)15-12(20)3-2-4-13(15)21)7-8-14-16(9)19-18(23-14)10-5-6-10/h7-8,10,22H,2-6H2,1H3