2-(ethylsulfanylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(ethylsulfanylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(ethylsulfanylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[[(ethylthio)amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(ethylsulfanylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-[(ethylthio)carbamoylamino]-3-phenyl-propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCSNC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCSNC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-2-18-14-12(17)13-10(11(15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,15,16)(H2,13,14,17)