sodium (E)-2-azanyl-5-(4-propan-2-ylphenyl)-5-thiophen-3-yl-pent-4-enoate

Systemtic Name: sodium (E)-2-azanyl-5-(4-propan-2-ylphenyl)-5-thiophen-3-yl-pent-4-enoate Openeye Name: sodium (E)-2-amino-5-(4-isopropylphenyl)-5-(3-thienyl)pent-4-enoate CAS Name: sodium (E)-2-amino-5-(4-propan-2-ylphenyl)-5-(3-thiophenyl)-4-pentenoate IUPAC Name: sodium (E)-2-amino-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoate Traditional Name: sodium (E)-2-amino-5-p-cumenyl-5-(3-thienyl)pent-4-enoate Formula: C18H20NNaO2S MolecularWeight: 337.41167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=CCC(C(=O)[O-])N)C2=CSC=C2.[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C(=C\CC(C(=O)[O-])N)/C2=CSC=C2.[Na+]

InChI

InChI=1S/C18H21NO2S.Na/c1-12(2)13-3-5-14(6-4-13)16(15-9-10-22-11-15)7-8-17(19)18(20)21;/h3-7,9-12,17H,8,19H2,1-2H3,(H,20,21);/q;+1/p-1/b16-7+;