ethyl 7-ethyl-7-methyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate

Systemtic Name: ethyl 7-ethyl-7-methyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Openeye Name: ethyl 7-ethyl-7-methyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-ethyl-7-methyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Traditional Name: 7-ethyl-7-methyl-2-(phenylthiocarbamoylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)C=C(C(=N2)NC(=S)NC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1(CC2=C(CO1)C=C(C(=N2)NC(=S)NC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S/c1-4-21(3)12-17-14(13-27-21)11-16(19(25)26-5-2)18(23-17)24-20(28)22-15-9-7-6-8-10-15/h6-11H,4-5,12-13H2,1-3H3,(H2,22,23,24,28)