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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate CAS Name: 2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Traditional Name: 2-[(4-methoxyphenyl)thiocarbamoylamino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(CC(OC2)(C)C)N=C1NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S/c1-5-27-19(25)16-10-13-12-28-21(2,3)11-17(13)23-18(16)24-20(29)22-14-6-8-15(26-4)9-7-14/h6-10H,5,11-12H2,1-4H3,(H2,22,23,24,29)