3-[(5-chloranyl-1,3-benzodithiol-2-ylidene)amino]butanoic acid

Systemtic Name: 3-[(5-chloranyl-1,3-benzodithiol-2-ylidene)amino]butanoic acid Openeye Name: 3-[(5-chloro-1,3-benzodithiol-2-ylidene)amino]butanoic acid CAS Name: 3-[(5-chloro-1,3-benzodithiol-2-ylidene)amino]butanoic acid IUPAC Name: 3-[(5-chloro-1,3-benzodithiol-2-ylidene)amino]butanoic acid Traditional Name: 3-[(5-chloro-1,3-benzodithiol-2-ylidene)amino]butyric acid Formula: C11H10ClNO2S2 MolecularWeight: 287.7856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N=C1SC2=C(S1)C=C(C=C2)Cl

Isomeric SMILES

CC(CC(=O)O)N=C1SC2=C(S1)C=C(C=C2)Cl

InChI

InChI=1S/C11H10ClNO2S2/c1-6(4-10(14)15)13-11-16-8-3-2-7(12)5-9(8)17-11/h2-3,5-6H,4H2,1H3,(H,14,15)