diethyl 2-acetamido-2-[[5-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[5-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(5-chloro-1,1-dioxo-benzothiophen-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(5-chloro-1,1-diketo-benzothiophen-3-yl)methyl]malonic acid diethyl ester Formula: C18H20ClNO7S MolecularWeight: 429.8719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CS(=O)(=O)C2=C1C=C(C=C2)Cl)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CS(=O)(=O)C2=C1C=C(C=C2)Cl)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H20ClNO7S/c1-4-26-16(22)18(20-11(3)21,17(23)27-5-2)9-12-10-28(24,25)15-7-6-13(19)8-14(12)15/h6-8,10H,4-5,9H2,1-3H3,(H,20,21)