(2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]pentanoate

Systemtic Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]pentanoate Openeye Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]pentanoate CAS Name: (2S)-2-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]pentanoate Traditional Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]valerate Formula: C16H21N2O4S- MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

Isomeric SMILES

CCC[C@@H](C(=O)[O-])NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

InChI

InChI=1S/C16H22N2O4S/c1-3-6-11(16(21)22)18-14(20)13-10-7-4-5-8-12(10)23-15(13)17-9(2)19/h11H,3-8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t11-/m0/s1