dimethyl 3-methyl-5-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(1R)-1-phenylethyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N[C@H](C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-10-13(16(21)23-3)15(26-14(10)17(22)24-4)20-18(25)19-11(2)12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,19,20,25)/t11-/m1/s1