(2S)-4-azanyl-4-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoate Openeye Name: (2S)-4-amino-4-oxo-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)butanoate Traditional Name: (2S)-4-amino-4-keto-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butyrate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c14-11(16)6-8(13(18)19)15-12(17)10-5-7-3-1-2-4-9(7)20-10/h5,8H,1-4,6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t8-/m0/s1