lithium 3-(phenylmethylsulfanyl)-2-[(4-propoxyphenyl)carbonylamino]propanoate

Systemtic Name: lithium 3-(phenylmethylsulfanyl)-2-[(4-propoxyphenyl)carbonylamino]propanoate Openeye Name: lithium 3-benzylsulfanyl-2-[(4-propoxybenzoyl)amino]propanoate CAS Name: lithium 2-[[oxo-(4-propoxyphenyl)methyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: lithium 3-benzylsulfanyl-2-[(4-propoxybenzoyl)amino]propanoate Traditional Name: lithium 3-(benzylthio)-2-[(4-propoxybenzoyl)amino]propionate Formula: C20H22LiNO4S MolecularWeight: 379.39898

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

[Li+].CCCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H23NO4S.Li/c1-2-12-25-17-10-8-16(9-11-17)19(22)21-18(20(23)24)14-26-13-15-6-4-3-5-7-15;/h3-11,18H,2,12-14H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1