[[(E)-5-azanyl-2-methylidene-5-oxidanylidene-pent-3-enoyl]amino] 2-methylbutane-1-sulfonate

Systemtic Name: [[(E)-5-azanyl-2-methylidene-5-oxidanylidene-pent-3-enoyl]amino] 2-methylbutane-1-sulfonate Openeye Name: [[(E)-5-amino-2-methylene-5-oxo-pent-3-enoyl]amino] 2-methylbutane-1-sulfonate CAS Name: 2-methyl-1-butanesulfonic acid IUPAC Name: [[(E)-5-amino-2-methylidene-5-oxopent-3-enoyl]amino] 2-methylbutane-1-sulfonate Traditional Name: 2-methylbutane-1-sulfonic acid [[(E)-5-amino-5-keto-2-methylene-pent-3-enoyl]amino] ester Formula: C11H18N2O5S MolecularWeight: 290.33602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CS(=O)(=O)ONC(=O)C(=C)C=CC(=O)N

Isomeric SMILES

CCC(C)CS(=O)(=O)ONC(=O)C(=C)/C=C/C(=O)N

InChI

InChI=1S/C11H18N2O5S/c1-4-8(2)7-19(16,17)18-13-11(15)9(3)5-6-10(12)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,14)(H,13,15)/b6-5+