ethyl 5-methyl-4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-17(15-9-7-13(2)8-10-15)14(3)28-19(18)23-21(27)22-12-16-6-5-11-26-16/h7-10,16H,4-6,11-12H2,1-3H3,(H2,22,23,27)/t16-/m1/s1