(4S)-4-ethoxycarbonyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)octanoate

Systemtic Name: (4S)-4-ethoxycarbonyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)octanoate Openeye Name: (4S)-4-(2-anilinothiazol-4-yl)-4-ethoxycarbonyl-octanoate CAS Name: (4S)-4-(2-anilino-4-thiazolyl)-4-ethoxycarbonyloctanoate IUPAC Name: (4S)-4-(2-anilino-1,3-thiazol-4-yl)-4-ethoxycarbonyloctanoate Traditional Name: (4S)-4-(2-anilinothiazol-4-yl)-4-carbethoxy-caprylate Formula: C20H25N2O4S- MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)[O-])(C1=CSC(=N1)NC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC[C@](CCC(=O)[O-])(C1=CSC(=N1)NC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H26N2O4S/c1-3-5-12-20(13-11-17(23)24,18(25)26-4-2)16-14-27-19(22-16)21-15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H,21,22)(H,23,24)/p-1/t20-/m0/s1