5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-2-thiazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]amino]valerate Formula: C18H21N2O3S- MolecularWeight: 345.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-3-12(2)13-7-9-14(10-8-13)15-11-24-18(19-15)20-16(21)5-4-6-17(22)23/h7-12H,3-6H2,1-2H3,(H,22,23)(H,19,20,21)/p-1/t12-/m0/s1