10-(1,3-thiazol-2-ylcarbamoyl)-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid

Systemtic Name: 10-(1,3-thiazol-2-ylcarbamoyl)-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid Openeye Name: 10-(thiazol-2-ylcarbamoyl)-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid CAS Name: 10-[oxo-(2-thiazolylamino)methyl]-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid IUPAC Name: 10-(1,3-thiazol-2-ylcarbamoyl)-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid Traditional Name: 10-(thiazol-2-ylcarbamoyl)-1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9-carboxylic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C3CCCCC3C(C(C2C1)C(=O)NC4=NC=CS4)C(=O)O

Isomeric SMILES

C1CCC2=C3CCCCC3C(C(C2C1)C(=O)NC4=NC=CS4)C(=O)O

InChI

InChI=1S/C19H24N2O3S/c22-17(21-19-20-9-10-25-19)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)18(23)24/h9-10,13-16H,1-8H2,(H,23,24)(H,20,21,22)