4-(1-azanylethoxycarbonyl)benzoate; thiolane

Systemtic Name: 4-(1-azanylethoxycarbonyl)benzoate; thiolane Openeye Name: 4-(1-aminoethoxycarbonyl)benzoate; tetrahydrothiophene CAS Name: 4-[1-aminoethoxy(oxo)methyl]benzoate; thiolane IUPAC Name: 4-(1-aminoethoxycarbonyl)benzoate; thiolane Traditional Name: 4-(1-aminoethoxycarbonyl)benzoate; tetrahydrothiophene Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)OC(=O)C1=CC=C(C=C1)C(=O)[O-].C1CCSC1

Isomeric SMILES

CC(N)OC(=O)C1=CC=C(C=C1)C(=O)[O-].C1CCSC1

InChI

InChI=1S/C10H11NO4.C4H8S/c1-6(11)15-10(14)8-4-2-7(3-5-8)9(12)13;1-2-4-5-3-1/h2-6H,11H2,1H3,(H,12,13);1-4H2/p-1