sodium (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-sulfanyl-butanoate

Systemtic Name: sodium (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-sulfanyl-butanoate Openeye Name: sodium (2S)-2-[(4-phenylthiazol-2-yl)amino]-4-sulfanyl-butanoate CAS Name: sodium (2S)-4-mercapto-2-[(4-phenyl-2-thiazolyl)amino]butanoate IUPAC Name: sodium (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-sulfanylbutanoate Traditional Name: sodium (2S)-4-mercapto-2-[(4-phenylthiazol-2-yl)amino]butyrate Formula: C13H13N2NaO2S2 MolecularWeight: 316.37429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(CCS)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)N[C@@H](CCS)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N2O2S2.Na/c16-12(17)10(6-7-18)14-13-15-11(8-19-13)9-4-2-1-3-5-9;/h1-5,8,10,18H,6-7H2,(H,14,15)(H,16,17);/q;+1/p-1/t10-;/m0./s1