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

Systemtic Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]butanoate Openeye Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]butanoate CAS Name: (2S)-2-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]butyrate Formula: C15H19N2O4S- MolecularWeight: 323.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-3-10(15(20)21)17-13(19)12-9-6-4-5-7-11(9)22-14(12)16-8(2)18/h10H,3-7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/p-1/t10-/m0/s1