methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S2/c1-13-18(14-6-4-3-5-7-14)19(21(25)26-2)20(30-13)24-22(29)23-15-8-9-16-17(12-15)28-11-10-27-16/h3-9,12H,10-11H2,1-2H3,(H2,23,24,29)