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

Systemtic Name: ethyl 5,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(m-tolylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(m-tolylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C20H24N2O2S3 MolecularWeight: 420.61176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C20H24N2O2S3/c1-5-24-18(23)16-14-10-20(3,4)26-11-15(14)27-17(16)22-19(25)21-13-8-6-7-12(2)9-13/h6-9H,5,10-11H2,1-4H3,(H2,21,22,25)