N-[[6-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl]butan-1-amine

Systemtic Name: N-[[6-chloranyl-1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl]butan-1-amine Openeye Name: N-[(6-chloro-1,1-dioxo-benzothiophen-2-yl)methyl]butan-1-amine CAS Name: N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]-1-butanamine IUPAC Name: N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]butan-1-amine Traditional Name: butyl-[(6-chloro-1,1-diketo-benzothiophen-2-yl)methyl]amine Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC2=C(S1(=O)=O)C=C(C=C2)Cl

Isomeric SMILES

CCCCNCC1=CC2=C(S1(=O)=O)C=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO2S/c1-2-3-6-15-9-12-7-10-4-5-11(14)8-13(10)18(12,16)17/h4-5,7-8,15H,2-3,6,9H2,1H3