(4R)-4-ethoxycarbonyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)hexanoate

Systemtic Name: (4R)-4-ethoxycarbonyl-4-(2-phenylazanyl-1,3-thiazol-4-yl)hexanoate Openeye Name: (4R)-4-(2-anilinothiazol-4-yl)-4-ethoxycarbonyl-hexanoate CAS Name: (4R)-4-(2-anilino-4-thiazolyl)-4-ethoxycarbonylhexanoate IUPAC Name: (4R)-4-(2-anilino-1,3-thiazol-4-yl)-4-ethoxycarbonylhexanoate Traditional Name: (4R)-4-(2-anilinothiazol-4-yl)-4-carbethoxy-hexanoate Formula: C18H21N2O4S- MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-3-18(11-10-15(21)22,16(23)24-4-2)14-12-25-17(20-14)19-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t18-/m1/s1