ethyl 4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N[C@H](C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O4S/c1-3-24-19(23)14-4-7-16(8-5-14)22-20(27)21-13(2)15-6-9-17-18(12-15)26-11-10-25-17/h4-9,12-13H,3,10-11H2,1-2H3,(H2,21,22,27)/t13-/m1/s1