methyl 3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C16H18N2O3S2/c1-20-15(19)14-13(11-6-2-3-7-12(11)23-14)18-16(22)17-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,17,18,22)/t10-/m1/s1