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

Systemtic Name: ethyl 7,7-dimethyl-2-[(phenylmethyl)carbamothioylamino]-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate CAS Name: 7,7-dimethyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-7,7-dimethyl-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:

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-4-26-19(25)16-10-15-13-27-21(2,3)11-17(15)23-18(16)24-20(28)22-12-14-8-6-5-7-9-14/h5-10H,4,11-13H2,1-3H3,(H2,22,23,24,28)