methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N[C@H](C)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-4-12-8-13(17(21)22-3)16(26-12)20-18(25)19-10(2)11-5-6-14-15(7-11)24-9-23-14/h5-8,10H,4,9H2,1-3H3,(H2,19,20,25)/t10-/m1/s1