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

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

CCCCCCC(C(=O)NC1=NC=C(S1)C(C)C)C(=O)OC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)NC1=NC=C(S1)C(C)C)C(=O)OC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-4-5-6-7-10-15(19(25)23-21-22-13-18(30-21)14(2)3)20(26)29-17-12-9-8-11-16(17)24(27)28/h8-9,11-15H,4-7,10H2,1-3H3,(H,22,23,25)