ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)benzoate CAS Name: 4-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O4S/c1-2-22-17(21)12-3-5-13(6-4-12)19-18(25)20-14-7-8-15-16(11-14)24-10-9-23-15/h3-8,11H,2,9-10H2,1H3,(H2,19,20,25)