methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O4S2/c1-11-3-5-13-16(9-11)28-18(17(13)19(23)24-2)22-20(27)21-12-4-6-14-15(10-12)26-8-7-25-14/h4,6,10-11H,3,5,7-9H2,1-2H3,(H2,21,22,27)