methyl (2R)-4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H17ClN2O4S2 MolecularWeight: 412.91088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H17ClN2O4S2/c1-24-17(23)12-9-20(6-7-25-12)13(21)8-19-16(22)15-14(18)10-4-2-3-5-11(10)26-15/h2-5,12H,6-9H2,1H3,(H,19,22)/t12-/m1/s1