2-(1,3-benzodioxol-5-ylamino)-3-sulfanyl-propanoate hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-3-sulfanyl-propanoate hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-3-sulfanyl-propanoate hydrochloride CAS Name: 2-(1,3-benzodioxol-5-ylamino)-3-mercaptopropanoate hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-3-sulfanylpropanoate hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-3-mercapto-propionate hydrochloride Formula: C10H11ClNO4S- MolecularWeight: 276.71664

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(CS)C(=O)[O-].Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(CS)C(=O)[O-].Cl

InChI

InChI=1S/C10H11NO4S.ClH/c12-10(13)7(4-16)11-6-1-2-8-9(3-6)15-5-14-8;/h1-3,7,11,16H,4-5H2,(H,12,13);1H/p-1