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

Systemtic Name: ethyl 2-[(3-methylphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-(m-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(3-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-[(3-methylphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Traditional Name: 5-isopropyl-2-(m-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(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NC3=CC=CC(=C3)C

InChI

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