methyl 3-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-(1,3-benzodioxol-5-yloxymethyl)morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C20H22N2O6S2/c1-12-10-30-18(19(23)24-2)17(12)21-20(29)22-5-6-25-14(8-22)9-26-13-3-4-15-16(7-13)28-11-27-15/h3-4,7,10,14H,5-6,8-9,11H2,1-2H3,(H,21,29)