2-[3-[2-(2-methylprop-2-enoylamino)ethyl]-2-sulfanylidene-benzimidazol-1-yl]ethanesulfonic acid

Systemtic Name: 2-[3-[2-(2-methylprop-2-enoylamino)ethyl]-2-sulfanylidene-benzimidazol-1-yl]ethanesulfonic acid Openeye Name: 2-[3-[2-(2-methylprop-2-enoylamino)ethyl]-2-thioxo-benzimidazol-1-yl]ethanesulfonic acid CAS Name: 2-[3-[2-[(2-methyl-1-oxoprop-2-enyl)amino]ethyl]-2-sulfanylidene-1-benzimidazolyl]ethanesulfonic acid IUPAC Name: 2-[3-[2-(2-methylprop-2-enoylamino)ethyl]-2-sulfanylidenebenzimidazol-1-yl]ethanesulfonic acid Traditional Name: 2-[3-(2-methacrylamidoethyl)-2-thioxo-benzimidazol-1-yl]ethanesulfonic acid Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCN1C2=CC=CC=C2N(C1=S)CCS(=O)(=O)O

Isomeric SMILES

CC(=C)C(=O)NCCN1C2=CC=CC=C2N(C1=S)CCS(=O)(=O)O

InChI

InChI=1S/C15H19N3O4S2/c1-11(2)14(19)16-7-8-17-12-5-3-4-6-13(12)18(15(17)23)9-10-24(20,21)22/h3-6H,1,7-10H2,2H3,(H,16,19)(H,20,21,22)