ethyl 4-[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)COC(C3)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)COC(C3)(C)C)OC

InChI

InChI=1S/C20H24N2O4S2/c1-5-25-18(23)12-6-8-13(9-7-12)21-19(27)22-17-16(24-4)14-10-20(2,3)26-11-15(14)28-17/h6-9H,5,10-11H2,1-4H3,(H2,21,22,27)