methyl 4-(2-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O3S2 MolecularWeight: 410.93806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C18H19ClN2O3S2/c1-23-17(22)15-13(12-6-2-3-7-14(12)19)10-26-16(15)21-18(25)20-9-11-5-4-8-24-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,20,21,25)/t11-/m1/s1