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

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(p-phenetylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S2/c1-5-25-14-9-7-13(8-10-14)22-20(28)23-18-17(19(24)26-6-2)15-11-21(3,4)27-12-16(15)29-18/h7-10H,5-6,11-12H2,1-4H3,(H2,22,23,28)