ethyl 2-[(2-methylphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(2-methylphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-(o-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Traditional Name: 5-isopropyl-2-(o-tolylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-5-25-20(24)18-14-10-16(12(2)3)26-11-17(14)28-19(18)23-21(27)22-15-9-7-6-8-13(15)4/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,27)