4-[(5-chloranyl-1-benzothiophen-3-yl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[(5-chloranyl-1-benzothiophen-3-yl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[(5-chlorobenzothiophen-3-yl)methyl-methyl-amino]-2,4-dioxo-butanoic acid CAS Name: 4-[(5-chloro-1-benzothiophen-3-yl)methyl-methylamino]-2,4-dioxobutanoic acid IUPAC Name: 4-[(5-chloro-1-benzothiophen-3-yl)methyl-methylamino]-2,4-dioxobutanoic acid Traditional Name: 4-[(5-chlorobenzothiophen-3-yl)methyl-methyl-amino]-2,4-diketo-butyric acid Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC2=C1C=C(C=C2)Cl)C(=O)CC(=O)C(=O)O

Isomeric SMILES

CN(CC1=CSC2=C1C=C(C=C2)Cl)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C14H12ClNO4S/c1-16(13(18)5-11(17)14(19)20)6-8-7-21-12-3-2-9(15)4-10(8)12/h2-4,7H,5-6H2,1H3,(H,19,20)