(E)-2-(aminomethyl)-2-methyl-3-oxidanylidene-5-phenyl-4-(sulfanylmethyl)pent-4-enoic acid

Systemtic Name: (E)-2-(aminomethyl)-2-methyl-3-oxidanylidene-5-phenyl-4-(sulfanylmethyl)pent-4-enoic acid Openeye Name: (E)-2-(aminomethyl)-2-methyl-3-oxo-5-phenyl-4-(sulfanylmethyl)pent-4-enoic acid CAS Name: (E)-2-(aminomethyl)-4-(mercaptomethyl)-2-methyl-3-oxo-5-phenyl-4-pentenoic acid IUPAC Name: (E)-2-(aminomethyl)-2-methyl-3-oxo-5-phenyl-4-(sulfanylmethyl)pent-4-enoic acid Traditional Name: (E)-2-(aminomethyl)-3-keto-4-(mercaptomethyl)-2-methyl-5-phenyl-pent-4-enoic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)(C(=O)C(=CC1=CC=CC=C1)CS)C(=O)O

Isomeric SMILES

CC(CN)(C(=O)/C(=C\C1=CC=CC=C1)/CS)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-14(9-15,13(17)18)12(16)11(8-19)7-10-5-3-2-4-6-10/h2-7,19H,8-9,15H2,1H3,(H,17,18)/b11-7-