7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid

Systemtic Name: 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid Openeye Name: 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid IUPAC Name: 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid Traditional Name: 7,7-dimethyl-2-(phenylthiocarbamoylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C=C(C(=N2)NC(=S)NC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(CO1)C=C(C(=N2)NC(=S)NC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C18H19N3O3S/c1-18(2)9-14-11(10-24-18)8-13(16(22)23)15(20-14)21-17(25)19-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,22,23)(H2,19,20,21,25)