2-methylidene-3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid

Systemtic Name: 2-methylidene-3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid Openeye Name: 2-methylene-3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid CAS Name: 2-methylene-3-[[(2-methyl-1-sulfopropyl)amino]-oxomethyl]-3-butenoic acid IUPAC Name: 2-methylidene-3-[(2-methyl-1-sulfopropyl)carbamoyl]but-3-enoic acid Traditional Name: 2-methylene-3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid Formula: C10H15NO6S MolecularWeight: 277.2942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(=C)C(=C)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C(NC(=O)C(=C)C(=C)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H15NO6S/c1-5(2)9(18(15,16)17)11-8(12)6(3)7(4)10(13)14/h5,9H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H,15,16,17)