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

Systemtic Name: ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Openeye Name: ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7,7-dimethyl-2-(phenylcarbamothioylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate Traditional Name: 7,7-dimethyl-2-(phenylthiocarbamoylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-25-18(24)15-10-13-12-26-20(2,3)11-16(13)22-17(15)23-19(27)21-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3,(H2,21,22,23,27)