3-(1-benzothiophen-3-yl)-2-(ethylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-(ethylcarbamothioylamino)propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(ethylcarbamothioylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[ethylamino(sulfanylidene)methyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(ethylcarbamothioylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(ethylthiocarbamoylamino)propionic acid Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCNC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16N2O2S2/c1-2-15-14(19)16-11(13(17)18)7-9-8-20-12-6-4-3-5-10(9)12/h3-6,8,11H,2,7H2,1H3,(H,17,18)(H2,15,16,19)