methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C19H20N2O4S2/c1-10(11-6-7-13-14(8-11)25-9-24-13)20-19(26)21-17-16(18(22)23-2)12-4-3-5-15(12)27-17/h6-8,10H,3-5,9H2,1-2H3,(H2,20,21,26)