4-(methoxycarbamoylamino)-5-phenyl-pentanethioic S-acid

Systemtic Name: 4-(methoxycarbamoylamino)-5-phenyl-pentanethioic S-acid Openeye Name: 4-(methoxycarbamoylamino)-5-phenyl-pentanethioic S-acid CAS Name: 4-[[(methoxyamino)-oxomethyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 4-(methoxycarbamoylamino)-5-phenylpentanethioic S-acid Traditional Name: 4-(methoxycarbamoylamino)-5-phenyl-thiovaleric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)NC(CCC(=O)S)CC1=CC=CC=C1

Isomeric SMILES

CONC(=O)NC(CCC(=O)S)CC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O3S/c1-18-15-13(17)14-11(7-8-12(16)19)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,19)(H2,14,15,17)