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

Systemtic Name: methyl 6,6-dimethyl-3-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[3,2-c]pyran-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=C(S2)C(=O)OC)NC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=C(S2)C(=O)OC)NC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O4S2/c1-19(2)9-13-12(10-25-19)14(15(27-13)17(23)24-3)20-18(26)21-16(22)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,20,21,22,26)