ethyl 6,6-dimethyl-3-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[3,2-c]pyran-2-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-3-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[3,2-c]pyran-2-carboxylate Openeye Name: ethyl 3-(benzoylcarbamothioylamino)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzoylcarbamothioylamino)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-2-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CC(OC2)(C)C)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CC(OC2)(C)C)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-4-25-18(24)16-15(13-11-26-20(2,3)10-14(13)28-16)21-19(27)22-17(23)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H2,21,22,23,27)