(Z)-2-(2-azanylethyl)-3-oxidanylidene-5-phenyl-4-(sulfanylmethyl)pent-4-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CS)C(=O)C(CCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c15-7-6-12(14(17)18)13(16)11(9-19)8-10-4-2-1-3-5-10/h1-5,8,12,19H,6-7,9,15H2,(H,17,18)/b11-8+