(2-nitrophenyl) 5-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]octanoate

Systemtic Name: (2-nitrophenyl) 5-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]octanoate Openeye Name: (2-nitrophenyl) 5-[(5-isopropylthiazol-2-yl)carbamoyl]octanoate CAS Name: 5-[oxo-[(5-propan-2-yl-2-thiazolyl)amino]methyl]octanoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 5-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]octanoate Traditional Name: 5-[(5-isopropylthiazol-2-yl)carbamoyl]caprylic acid (2-nitrophenyl) ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=O)OC1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=NC=C(S2)C(C)C

Isomeric SMILES

CCCC(CCCC(=O)OC1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=NC=C(S2)C(C)C

InChI

InChI=1S/C21H27N3O5S/c1-4-8-15(20(26)23-21-22-13-18(30-21)14(2)3)9-7-12-19(25)29-17-11-6-5-10-16(17)24(27)28/h5-6,10-11,13-15H,4,7-9,12H2,1-3H3,(H,22,23,26)