(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2R)-2-azanyl-3-sulfanyl-propanoate hydrochloride

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2R)-2-azanyl-3-sulfanyl-propanoate hydrochloride Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2R)-2-amino-3-sulfanyl-propanoate hydrochloride CAS Name: (2R)-2-amino-3-mercaptopropanoic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester hydrochloride IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2R)-2-amino-3-sulfanylpropanoate hydrochloride Traditional Name: (2R)-2-amino-3-mercapto-propionic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester hydrochloride Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C(CS)N.Cl

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)[C@H](CS)N.Cl

InChI

InChI=1S/C20H23NO5S.ClH/c1-11(22)24-18-14-8-9-20(2,3)26-16(14)12-6-4-5-7-13(12)17(18)25-19(23)15(21)10-27;/h4-7,15,27H,8-10,21H2,1-3H3;1H/t15-;/m0./s1