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

Systemtic Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N[C@H](C)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-9-6-12(16(20)21-3)15(25-9)19-17(24)18-10(2)11-4-5-13-14(7-11)23-8-22-13/h4-7,10H,8H2,1-3H3,(H2,18,19,24)/t10-/m1/s1