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

Systemtic Name: ethyl 7,7-dimethyl-2-(phenylcarbonylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-4-27-19(26)15-10-14-12-28-21(2,3)11-16(14)22-17(15)23-20(29)24-18(25)13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3,(H2,22,23,24,25,29)