ethyl 5,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(o-tolylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-[(2-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(o-tolylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C20H24N2O3S2/c1-5-24-18(23)16-13-10-20(3,4)25-11-15(13)27-17(16)22-19(26)21-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3,(H2,21,22,26)