[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C

InChI

InChI=1S/C21H25NO5S/c1-3-4-5-12-26-17-8-6-16(7-9-17)21(25)27-14-19(24)20-11-10-18(28-20)13-22-15(2)23/h6-11H,3-5,12-14H2,1-2H3,(H,22,23)