methyl 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-hydroxy-propanoate CAS Name: 2-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C13H11Cl2NO4S MolecularWeight: 348.20174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H11Cl2NO4S/c1-20-13(19)8(5-17)16-12(18)11-10(15)7-3-2-6(14)4-9(7)21-11/h2-4,8,17H,5H2,1H3,(H,16,18)