4a-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

Systemtic Name: 4a-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Openeye Name: 4a-ethyl-3-methyl-2-(4-methylthiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol CAS Name: 4a-ethyl-3-methyl-2-(4-methyl-2-thiazolyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol IUPAC Name: 4a-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Traditional Name: 4a-ethyl-3-methyl-2-(4-methylthiazol-2-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=NC(=CS4)C)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=NC(=CS4)C)O)(C)O

InChI

InChI=1S/C21H27NO3S/c1-4-20-12-19(3,24)21(25,18-22-13(2)11-26-18)10-15(20)6-5-14-9-16(23)7-8-17(14)20/h7-9,11,15,23-25H,4-6,10,12H2,1-3H3